[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-(2-benzylanilino)-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: [2-(2-benzylanilino)-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-(2-benzylanilino)-2-keto-ethyl] ester Formula: C24H23N3O5 MolecularWeight: 433.45652

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O5/c1-26(2)21-13-12-19(15-22(21)27(30)31)24(29)32-16-23(28)25-20-11-7-6-10-18(20)14-17-8-4-3-5-9-17/h3-13,15H,14,16H2,1-2H3,(H,25,28)