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

Systemtic Name: N-[(Z)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxidanylidene-prop-1-en-2-yl]-4-bromanyl-benzamide Openeye Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(3-nitrophenyl)vinyl]-4-bromo-benzamide CAS Name: N-[(Z)-3-(1-azepanyl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide IUPAC Name: N-[(Z)-3-(azepan-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-bromobenzamide Traditional Name: N-[(Z)-1-(azepane-1-carbonyl)-2-(3-nitrophenyl)vinyl]-4-bromo-benzamide Formula: C22H22BrN3O4 MolecularWeight: 472.33178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H22BrN3O4/c23-18-10-8-17(9-11-18)21(27)24-20(22(28)25-12-3-1-2-4-13-25)15-16-6-5-7-19(14-16)26(29)30/h5-11,14-15H,1-4,12-13H2,(H,24,27)/b20-15-