methyl 2-[5-[[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]methyl]-2-nitro-phenyl]ethanoate

Systemtic Name: methyl 2-[5-[[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]methyl]-2-nitro-phenyl]ethanoate Openeye Name: methyl 2-[5-[[bis(tert-butoxycarbonylamino)methyleneamino]methyl]-2-nitro-phenyl]acetate CAS Name: 2-[5-[[bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylideneamino]methyl]-2-nitrophenyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-[[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]methyl]-2-nitrophenyl]acetate Traditional Name: 2-[5-[[bis(tert-butoxycarbonylamino)methyleneamino]methyl]-2-nitro-phenyl]acetic acid methyl ester Formula: C21H30N4O8 MolecularWeight: 466.4849

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=NCC1=CC(=C(C=C1)[N+](=O)[O-])CC(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(=NCC1=CC(=C(C=C1)[N+](=O)[O-])CC(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H30N4O8/c1-20(2,3)32-18(27)23-17(24-19(28)33-21(4,5)6)22-12-13-8-9-15(25(29)30)14(10-13)11-16(26)31-7/h8-10H,11-12H2,1-7H3,(H2,22,23,24,27,28)