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

Systemtic Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic 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-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-keto-2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]ethyl] ester Formula: C23H19N3O7S MolecularWeight: 481.47786

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)NC(=O)COC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)NC(=O)COC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4)[N+](=O)[O-])OC1

InChI

InChI=1S/C23H19N3O7S/c27-21(25-17-12-19-20(13-18(17)26(29)30)32-11-5-10-31-19)14-33-23(28)16-8-4-9-24-22(16)34-15-6-2-1-3-7-15/h1-4,6-9,12-13H,5,10-11,14H2,(H,25,27)