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

Systemtic Name: N-[(E)-1-(cyclohexylamino)-3-(3-nitrophenyl)-1-oxidanylidene-but-2-en-2-yl]benzamide Openeye Name: N-[(E)-1-(cyclohexylcarbamoyl)-2-(3-nitrophenyl)prop-1-enyl]benzamide CAS Name: N-[(E)-1-(cyclohexylamino)-3-(3-nitrophenyl)-1-oxobut-2-en-2-yl]benzamide IUPAC Name: N-[(E)-1-(cyclohexylamino)-3-(3-nitrophenyl)-1-oxobut-2-en-2-yl]benzamide Traditional Name: N-[(E)-1-(cyclohexylcarbamoyl)-2-(3-nitrophenyl)prop-1-enyl]benzamide Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)NC1CCCCC1)NC(=O)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C/C(=C(/C(=O)NC1CCCCC1)\NC(=O)C2=CC=CC=C2)/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O4/c1-16(18-11-8-14-20(15-18)26(29)30)21(23(28)24-19-12-6-3-7-13-19)25-22(27)17-9-4-2-5-10-17/h2,4-5,8-11,14-15,19H,3,6-7,12-13H2,1H3,(H,24,28)(H,25,27)/b21-16+