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

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c26-21(14-7-17-5-12-20(13-6-17)25(28)29)23-19-10-8-18(9-11-19)22(27)24-15-3-1-2-4-16-24/h5-14H,1-4,15-16H2,(H,23,26)/b14-7+