(E)-N-[4-(azepan-1-ylcarbonyl)phenyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[4-(azepan-1-ylcarbonyl)phenyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[4-(azepane-1-carbonyl)phenyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[4-[1-azepanyl(oxo)methyl]phenyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[4-(azepane-1-carbonyl)phenyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[4-(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=C(C=C2)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c26-21(13-8-17-6-5-7-20(16-17)25(28)29)23-19-11-9-18(10-12-19)22(27)24-14-3-1-2-4-15-24/h5-13,16H,1-4,14-15H2,(H,23,26)/b13-8+