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

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylamino)ethyl] 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: [2-(allylamino)-2-oxo-ethyl] 2-[4-(methylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]benzoic acid [2-oxo-2-(prop-2-enylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylamino)ethyl] 2-[4-(methylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(methylamino)-3-nitro-benzoyl]benzoic acid [2-(allylamino)-2-keto-ethyl] ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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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)NCC=C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O6/c1-3-10-22-18(24)12-29-20(26)15-7-5-4-6-14(15)19(25)13-8-9-16(21-2)17(11-13)23(27)28/h3-9,11,21H,1,10,12H2,2H3,(H,22,24)