ethyl 2-[[[3-[[bis(2-ethoxy-2-oxidanylidene-ethyl)amino]-methyl-amino]-2-[4-(4-methoxy-3-nitro-phenyl)-6-pyridin-2-yl-pyridin-2-yl]pyridin-4-yl]-methyl-amino]-(2-ethoxy-2-oxidanylidene-ethyl)amino]ethanoate

Systemtic Name: ethyl 2-[[[3-[[bis(2-ethoxy-2-oxidanylidene-ethyl)amino]-methyl-amino]-2-[4-(4-methoxy-3-nitro-phenyl)-6-pyridin-2-yl-pyridin-2-yl]pyridin-4-yl]-methyl-amino]-(2-ethoxy-2-oxidanylidene-ethyl)amino]ethanoate Openeye Name: ethyl 2-[[[3-[[bis(2-ethoxy-2-oxo-ethyl)amino]-methyl-amino]-2-[4-(4-methoxy-3-nitro-phenyl)-6-(2-pyridyl)-2-pyridyl]-4-pyridyl]-methyl-amino]-(2-ethoxy-2-oxo-ethyl)amino]acetate CAS Name: 2-[[[3-[[bis(2-ethoxy-2-oxoethyl)amino]-methylamino]-2-[4-(4-methoxy-3-nitrophenyl)-6-(2-pyridinyl)-2-pyridinyl]-4-pyridinyl]-methylamino]-(2-ethoxy-2-oxoethyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[[3-[[bis(2-ethoxy-2-oxoethyl)amino]-methylamino]-2-[4-(4-methoxy-3-nitrophenyl)-6-pyridin-2-ylpyridin-2-yl]pyridin-4-yl]-methylamino]-(2-ethoxy-2-oxoethyl)amino]acetate Traditional Name: 2-[[[3-[[bis(2-ethoxy-2-keto-ethyl)amino]-methyl-amino]-2-[4-(4-methoxy-3-nitro-phenyl)-6-(2-pyridyl)-2-pyridyl]-4-pyridyl]-methyl-amino]-(2-ethoxy-2-keto-ethyl)amino]acetic acid ethyl ester Formula: C40H48N8O11 MolecularWeight: 816.85612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC(=O)OCC)N(C)C1=C(C(=NC=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC(=C(C=C4)OC)[N+](=O)[O-])N(C)N(CC(=O)OCC)CC(=O)OCC

Isomeric SMILES

CCOC(=O)CN(CC(=O)OCC)N(C)C1=C(C(=NC=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC(=C(C=C4)OC)[N+](=O)[O-])N(C)N(CC(=O)OCC)CC(=O)OCC

InChI

InChI=1S/C40H48N8O11/c1-8-56-35(49)23-46(24-36(50)57-9-2)44(5)32-17-19-42-39(40(32)45(6)47(25-37(51)58-10-3)26-38(52)59-11-4)31-21-28(20-30(43-31)29-14-12-13-18-41-29)27-15-16-34(55-7)33(22-27)48(53)54/h12-22H,8-11,23-26H2,1-7H3