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

Systemtic Name: [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-[[(3,4-diethoxyanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C22H26N4O8 MolecularWeight: 474.46384

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H26N4O8/c1-5-32-18-10-8-15(12-19(18)33-6-2)23-22(29)24-20(27)13-34-21(28)14-7-9-16(25(3)4)17(11-14)26(30)31/h7-12H,5-6,13H2,1-4H3,(H2,23,24,27,29)