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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2CC(=O)N(C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2CC(=O)N(C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

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