[2-[(2-methoxyphenyl)carbonylamino]-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [2-[(2-methoxyphenyl)carbonylamino]-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-[(2-methoxybenzoyl)amino]-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-[[(2-methoxyphenyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-keto-2-(o-anisoylamino)ethyl] ester Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(=O)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O7/c1-29-17-5-3-2-4-14(17)19(25)22-18(24)11-30-20(26)12-6-9-15(21-13-7-8-13)16(10-12)23(27)28/h2-6,9-10,13,21H,7-8,11H2,1H3,(H,22,24,25)