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

Systemtic Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethyl] naphthalene-1-carboxylate Openeye Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxo-ethyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic 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] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [2-keto-2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]ethyl] ester Formula: C22H18N2O7 MolecularWeight: 422.38752

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)NC(=O)COC(=O)C3=CC=CC4=CC=CC=C43)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)NC(=O)COC(=O)C3=CC=CC4=CC=CC=C43)[N+](=O)[O-])OC1

InChI

InChI=1S/C22H18N2O7/c25-21(13-31-22(26)16-8-3-6-14-5-1-2-7-15(14)16)23-17-11-19-20(12-18(17)24(27)28)30-10-4-9-29-19/h1-3,5-8,11-12H,4,9-10,13H2,(H,23,25)