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

Systemtic Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethyl] 5-methyl-2-oxidanyl-benzoate Openeye Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxo-ethyl] 2-hydroxy-5-methyl-benzoate CAS Name: 2-hydroxy-5-methylbenzoic 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-hydroxy-5-methylbenzoate Traditional Name: 2-hydroxy-5-methyl-benzoic acid [2-keto-2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]ethyl] ester Formula: C19H18N2O8 MolecularWeight: 402.35482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)OCC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)OCC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3

InChI

InChI=1S/C19H18N2O8/c1-11-3-4-15(22)12(7-11)19(24)29-10-18(23)20-13-8-16-17(9-14(13)21(25)26)28-6-2-5-27-16/h3-4,7-9,22H,2,5-6,10H2,1H3,(H,20,23)