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

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-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-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C18H16N2O8 MolecularWeight: 388.32824

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)C=CC3=CC=C(O3)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-])OC1

InChI

InChI=1S/C18H16N2O8/c21-16(19-12-2-5-14-15(10-12)26-9-1-8-25-14)11-27-18(22)7-4-13-3-6-17(28-13)20(23)24/h2-7,10H,1,8-9,11H2,(H,19,21)/b7-4+