N-[(Z)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]-4-tert-butyl-benzamide

Systemtic Name: N-[(Z)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]-4-tert-butyl-benzamide Openeye Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(3-nitrophenyl)vinyl]-4-tert-butyl-benzamide CAS Name: N-[(Z)-3-(1-azepanyl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide IUPAC Name: N-[(Z)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide Traditional Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(3-nitrophenyl)vinyl]-4-tert-butyl-benzamide Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)N3CCCCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)N3CCCCCC3

InChI

InChI=1S/C26H31N3O4/c1-26(2,3)21-13-11-20(12-14-21)24(30)27-23(25(31)28-15-6-4-5-7-16-28)18-19-9-8-10-22(17-19)29(32)33/h8-14,17-18H,4-7,15-16H2,1-3H3,(H,27,30)/b23-18-