(E)-3-(3-nitrophenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]prop-2-enamide

Systemtic Name: (E)-3-(3-nitrophenyl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]prop-2-enamide Openeye Name: (E)-3-(3-nitrophenyl)-N-[3-(2-oxoazepan-1-yl)propyl]prop-2-enamide CAS Name: (E)-3-(3-nitrophenyl)-N-[3-(2-oxo-1-azepanyl)propyl]-2-propenamide IUPAC Name: (E)-3-(3-nitrophenyl)-N-[3-(2-oxoazepan-1-yl)propyl]prop-2-enamide Traditional Name: (E)-N-[3-(2-ketoazepan-1-yl)propyl]-3-(3-nitrophenyl)acrylamide Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O4/c22-17(10-9-15-6-4-7-16(14-15)21(24)25)19-11-5-13-20-12-3-1-2-8-18(20)23/h4,6-7,9-10,14H,1-3,5,8,11-13H2,(H,19,22)/b10-9+