(E)-N-[2-(azepan-1-ylcarbonyl)phenyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[2-(azepan-1-ylcarbonyl)phenyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[2-(azepane-1-carbonyl)phenyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[2-[1-azepanyl(oxo)methyl]phenyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[2-(azepane-1-carbonyl)phenyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[2-(azepane-1-carbonyl)phenyl]-3-(3-nitrophenyl)acrylamide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O4/c26-21(13-12-17-8-7-9-18(16-17)25(28)29)23-20-11-4-3-10-19(20)22(27)24-14-5-1-2-6-15-24/h3-4,7-13,16H,1-2,5-6,14-15H2,(H,23,26)/b13-12+