[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl] 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: [2-(2-methoxyethylamino)-2-oxidanylidene-ethyl] 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: [2-(2-methoxyethylamino)-2-oxo-ethyl] 2-[4-(methylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]benzoic acid [2-(2-methoxyethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyethylamino)-2-oxoethyl] 2-[4-(methylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(methylamino)-3-nitro-benzoyl]benzoic acid [2-keto-2-(2-methoxyethylamino)ethyl] ester Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NCCOC)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NCCOC)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O7/c1-21-16-8-7-13(11-17(16)23(27)28)19(25)14-5-3-4-6-15(14)20(26)30-12-18(24)22-9-10-29-2/h3-8,11,21H,9-10,12H2,1-2H3,(H,22,24)