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

Systemtic Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-methyl-3-nitro-phenyl)prop-2-enamide Openeye Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-methyl-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-methyl-3-nitrophenyl)-2-propenamide IUPAC Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-methyl-3-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-methyl-3-nitro-phenyl)acrylamide Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C=CC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)/C=C/C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H18N2O5/c1-13-15(4-2-5-16(13)21(23)24)20-19(22)9-7-14-6-8-17-18(12-14)26-11-3-10-25-17/h2,4-9,12H,3,10-11H2,1H3,(H,20,22)/b9-7+