4-ethoxy-N-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[3-methyl-4-(2-oxo-1-pyrrolidinyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[4-(2-ketopyrrolidino)-3-methyl-phenyl]-3-nitro-benzamide Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCCC3=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCCC3=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-3-28-18-9-6-14(12-17(18)23(26)27)20(25)21-15-7-8-16(13(2)11-15)22-10-4-5-19(22)24/h6-9,11-12H,3-5,10H2,1-2H3,(H,21,25)