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

Systemtic Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethyl] 2-phenoxybenzoate Openeye Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxo-ethyl] 2-phenoxybenzoate CAS Name: 2-phenoxybenzoic 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] 2-phenoxybenzoate Traditional Name: 2-phenoxybenzoic acid [2-keto-2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]ethyl] ester Formula: C24H20N2O8 MolecularWeight: 464.4242

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)NC(=O)COC(=O)C3=CC=CC=C3OC4=CC=CC=C4)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)NC(=O)COC(=O)C3=CC=CC=C3OC4=CC=CC=C4)[N+](=O)[O-])OC1

InChI

InChI=1S/C24H20N2O8/c27-23(25-18-13-21-22(14-19(18)26(29)30)32-12-6-11-31-21)15-33-24(28)17-9-4-5-10-20(17)34-16-7-2-1-3-8-16/h1-5,7-10,13-14H,6,11-12,15H2,(H,25,27)