methyl 2-[[6-[bis(2-methoxyethyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate

Systemtic Name: methyl 2-[[6-[bis(2-methoxyethyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-[bis(2-methoxyethyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-[bis(2-methoxyethyl)amino]-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-[bis(2-methoxyethyl)amino]-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-[bis(2-methoxyethyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C19H25N5O6 MolecularWeight: 419.4317

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=C(C(=NC=N2)N(CCOC)CCOC)[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=C(C(=NC=N2)N(CCOC)CCOC)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O6/c1-22(15-8-6-5-7-14(15)19(25)30-4)17-16(24(26)27)18(21-13-20-17)23(9-11-28-2)10-12-29-3/h5-8,13H,9-12H2,1-4H3