[2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethyl] 3-phenylfuran-2-carboxylate

Systemtic Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethyl] 3-phenylfuran-2-carboxylate Openeye Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxo-ethyl] 3-phenylfuran-2-carboxylate CAS Name: 3-phenyl-2-furancarboxylic acid [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxoethyl] 3-phenylfuran-2-carboxylate Traditional Name: 3-phenylfuran-2-carboxylic acid [2-keto-2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]ethyl] ester Formula: C22H18N2O8 MolecularWeight: 438.38692

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)NC(=O)COC(=O)C3=C(C=CO3)C4=CC=CC=C4)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)NC(=O)COC(=O)C3=C(C=CO3)C4=CC=CC=C4)[N+](=O)[O-])OC1

InChI

InChI=1S/C22H18N2O8/c25-20(13-32-22(26)21-15(7-10-31-21)14-5-2-1-3-6-14)23-16-11-18-19(12-17(16)24(27)28)30-9-4-8-29-18/h1-3,5-7,10-12H,4,8-9,13H2,(H,23,25)