[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester Formula: C20H17NO7 MolecularWeight: 383.35148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO7/c22-17(15-5-8-18-19(12-15)27-11-1-10-26-18)13-28-20(23)9-4-14-2-6-16(7-3-14)21(24)25/h2-9,12H,1,10-11,13H2/b9-4+