N-[3-(3-nitrophenyl)-1-oxidanylidene-1-pyrrolidin-1-yl-but-2-en-2-yl]benzamide

Systemtic Name: N-[3-(3-nitrophenyl)-1-oxidanylidene-1-pyrrolidin-1-yl-but-2-en-2-yl]benzamide Openeye Name: N-[2-(3-nitrophenyl)-1-(pyrrolidine-1-carbonyl)prop-1-enyl]benzamide CAS Name: N-[3-(3-nitrophenyl)-1-oxo-1-(1-pyrrolidinyl)but-2-en-2-yl]benzamide IUPAC Name: N-[3-(3-nitrophenyl)-1-oxo-1-pyrrolidin-1-ylbut-2-en-2-yl]benzamide Traditional Name: N-[2-(3-nitrophenyl)-1-(pyrrolidine-1-carbonyl)prop-1-enyl]benzamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)N1CCCC1)NC(=O)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=C(C(=O)N1CCCC1)NC(=O)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4/c1-15(17-10-7-11-18(14-17)24(27)28)19(21(26)23-12-5-6-13-23)22-20(25)16-8-3-2-4-9-16/h2-4,7-11,14H,5-6,12-13H2,1H3,(H,22,25)