ethyl 3-nitro-5-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methylcarbamoyl]benzoate

Systemtic Name: ethyl 3-nitro-5-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methylcarbamoyl]benzoate Openeye Name: ethyl 3-nitro-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methylamino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]benzoate Traditional Name: 3-[[4-(2-ketopyrrolidino)benzyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)N3CCCC3=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)N3CCCC3=O)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c1-2-30-21(27)16-10-15(11-18(12-16)24(28)29)20(26)22-13-14-5-7-17(8-6-14)23-9-3-4-19(23)25/h5-8,10-12H,2-4,9,13H2,1H3,(H,22,26)