[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester Formula: C21H25N3O7 MolecularWeight: 431.4391

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H25N3O7/c1-5-29-18-10-8-15(12-19(18)30-6-2)22-20(25)13-31-21(26)14-7-9-16(23(3)4)17(11-14)24(27)28/h7-12H,5-6,13H2,1-4H3,(H,22,25)