methyl 1-[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]-2,3-dihydroindole-5-carboxylate

Systemtic Name: methyl 1-[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]-2,3-dihydroindole-5-carboxylate Openeye Name: methyl 1-[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]indoline-5-carboxylate CAS Name: 1-[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]-2,3-dihydroindole-5-carboxylic acid methyl ester IUPAC Name: methyl 1-[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]-2,3-dihydroindole-5-carboxylate Traditional Name: 1-[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]indoline-5-carboxylic acid methyl ester Formula: C19H18N2O8S MolecularWeight: 434.41982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

InChI

InChI=1S/C19H18N2O8S/c1-27-19(22)13-3-4-14-12(9-13)5-6-20(14)30(25,26)18-11-17-16(10-15(18)21(23)24)28-7-2-8-29-17/h3-4,9-11H,2,5-8H2,1H3