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

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O7/c23-19(21-15-6-7-17-18(12-15)28-10-2-9-27-17)13-29-20(24)8-5-14-3-1-4-16(11-14)22(25)26/h1,3-8,11-12H,2,9-10,13H2,(H,21,23)/b8-5+