(E)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-nitrophenyl)acrylamide Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])OC1

InChI

InChI=1S/C18H16N2O5/c21-18(8-5-13-3-1-4-15(11-13)20(22)23)19-14-6-7-16-17(12-14)25-10-2-9-24-16/h1,3-8,11-12H,2,9-10H2,(H,19,21)/b8-5+