[1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: [1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-(2-oxo-1-pyrrolidinyl)benzoic acid [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-(2-ketopyrrolidino)benzoic acid [2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)C2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)C2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C21H21N3O7/c1-13(20(26)22-17-12-16(24(28)29)9-10-18(17)30-2)31-21(27)14-5-7-15(8-6-14)23-11-3-4-19(23)25/h5-10,12-13H,3-4,11H2,1-2H3,(H,22,26)