N-[(Z)-3-(azepan-1-yl)-3-oxidanylidene-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(Z)-3-(azepan-1-yl)-3-oxidanylidene-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]-3-nitro-benzamide Openeye Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(4-isopropoxyphenyl)vinyl]-3-nitro-benzamide CAS Name: N-[(Z)-3-(1-azepanyl)-3-oxo-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]-3-nitrobenzamide IUPAC Name: N-[(Z)-3-(azepan-1-yl)-3-oxo-1-(4-propan-2-yloxyphenyl)prop-1-en-2-yl]-3-nitrobenzamide Traditional Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(4-isopropoxyphenyl)vinyl]-3-nitro-benzamide Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C=C(C(=O)N2CCCCCC2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)/C=C(/C(=O)N2CCCCCC2)\NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H29N3O5/c1-18(2)33-22-12-10-19(11-13-22)16-23(25(30)27-14-5-3-4-6-15-27)26-24(29)20-8-7-9-21(17-20)28(31)32/h7-13,16-18H,3-6,14-15H2,1-2H3,(H,26,29)/b23-16-