[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] 1-methylindole-3-carboxylate

Systemtic Name: [2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] 1-methylindole-3-carboxylate Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl] 1-methylindole-3-carboxylate CAS Name: 1-methyl-3-indolecarboxylic acid [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 1-methylindole-3-carboxylate Traditional Name: 1-methylindole-3-carboxylic acid [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl] ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)COC(=O)C3=CN(C4=CC=CC=C43)C)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)COC(=O)C3=CN(C4=CC=CC=C43)C)OCO2

InChI

InChI=1S/C21H18N2O6/c1-12(24)14-7-18-19(29-11-28-18)8-16(14)22-20(25)10-27-21(26)15-9-23(2)17-6-4-3-5-13(15)17/h3-9H,10-11H2,1-2H3,(H,22,25)