[2-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-[(4-nitrophenyl)carbonylamino]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-[(4-nitrophenyl)carbonylamino]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromo-2,3-dimethyl-anilino)-2-oxo-ethyl] 1-[(4-nitrobenzoyl)amino]-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-[[(4-nitrophenyl)-oxomethyl]amino]-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-bromo-2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2,3-dimethylanilino)-2-oxoethyl] 1-[(4-nitrobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-[(4-nitrobenzoyl)amino]pyrrolidine-3-carboxylic acid [2-(4-bromo-2,3-dimethyl-anilino)-2-keto-ethyl] ester Formula: C22H21BrN4O7 MolecularWeight: 533.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)Br)NC(=O)COC(=O)C2CC(=O)N(C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1C)Br)NC(=O)COC(=O)C2CC(=O)N(C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21BrN4O7/c1-12-13(2)18(8-7-17(12)23)24-19(28)11-34-22(31)15-9-20(29)26(10-15)25-21(30)14-3-5-16(6-4-14)27(32)33/h3-8,15H,9-11H2,1-2H3,(H,24,28)(H,25,30)