[2-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [2-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-[(1-benzyl-2-methoxy-2-oxo-ethyl)amino]-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-[(1-benzyl-2-keto-2-methoxy-ethyl)amino]-2-keto-ethyl] ester Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)NC(CC2=CC=CC=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC(=O)NC(CC2=CC=CC=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O7/c1-23(2)17-10-9-15(12-18(17)24(28)29)20(26)31-13-19(25)22-16(21(27)30-3)11-14-7-5-4-6-8-14/h4-10,12,16H,11,13H2,1-3H3,(H,22,25)