methyl 2-[(4-methoxycarbonylphenyl)methylamino]-5-nitro-benzoate

Systemtic Name: methyl 2-[(4-methoxycarbonylphenyl)methylamino]-5-nitro-benzoate Openeye Name: methyl 2-[(4-methoxycarbonylphenyl)methylamino]-5-nitro-benzoate CAS Name: 2-[(4-methoxycarbonylphenyl)methylamino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(4-methoxycarbonylphenyl)methylamino]-5-nitrobenzoate Traditional Name: 2-[(4-carbomethoxybenzyl)amino]-5-nitro-benzoic acid methyl ester Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H16N2O6/c1-24-16(20)12-5-3-11(4-6-12)10-18-15-8-7-13(19(22)23)9-14(15)17(21)25-2/h3-9,18H,10H2,1-2H3