[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-[(5-methylisoxazol-3-yl)amino]-2-oxo-1-phenyl-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-keto-2-[(5-methylisoxazol-3-yl)amino]-1-phenyl-ethyl] ester Formula: C23H22N4O6 MolecularWeight: 450.44398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O6/c1-15-13-20(25-33-15)24-22(28)21(16-7-3-2-4-8-16)32-23(29)17-9-10-18(19(14-17)27(30)31)26-11-5-6-12-26/h2-4,7-10,13-14,21H,5-6,11-12H2,1H3,(H,24,25,28)