[2-[(1-ethanoyl-2,3-dihydroindol-5-yl)amino]-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(1-ethanoyl-2,3-dihydroindol-5-yl)amino]-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-[(1-acetylindolin-5-yl)amino]-2-oxo-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-[(1-acetylindolin-5-yl)amino]-2-keto-ethyl] ester Formula: C20H17N3O8 MolecularWeight: 427.36428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C1C=CC(=C2)NC(=O)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC(=O)N1CCC2=C1C=CC(=C2)NC(=O)COC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C20H17N3O8/c1-11(24)22-5-4-12-6-13(2-3-15(12)22)21-19(25)9-29-20(26)14-7-17-18(31-10-30-17)8-16(14)23(27)28/h2-3,6-8H,4-5,9-10H2,1H3,(H,21,25)