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

Systemtic Name: [2-[[2-(2-methylpropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-[2-(isobutylcarbamoyl)anilino]-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-[2-[(2-methylpropylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-[2-(isobutylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C22H26N4O6 MolecularWeight: 442.46504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O6/c1-14(2)12-23-21(28)16-7-5-6-8-17(16)24-20(27)13-32-22(29)15-9-10-18(25(3)4)19(11-15)26(30)31/h5-11,14H,12-13H2,1-4H3,(H,23,28)(H,24,27)