[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[(4-carbomethoxybenzyl)amino]-2-keto-ethyl] ester Formula: C18H17N3O7 MolecularWeight: 387.34348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O7/c1-27-17(23)12-4-2-11(3-5-12)9-20-16(22)10-28-18(24)13-6-7-14(19)15(8-13)21(25)26/h2-8H,9-10,19H2,1H3,(H,20,22)