methyl 3-(1,3-benzodioxol-5-ylcarbonylamino)-5-bromanyl-1H-indole-2-carboxylate

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylcarbonylamino)-5-bromanyl-1H-indole-2-carboxylate Openeye Name: methyl 3-(1,3-benzodioxole-5-carbonylamino)-5-bromo-1H-indole-2-carboxylate CAS Name: 3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-5-bromo-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxole-5-carbonylamino)-5-bromo-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-(piperonyloylamino)-1H-indole-2-carboxylic acid methyl ester Formula: C18H13BrN2O5 MolecularWeight: 417.21022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H13BrN2O5/c1-24-18(23)16-15(11-7-10(19)3-4-12(11)20-16)21-17(22)9-2-5-13-14(6-9)26-8-25-13/h2-7,20H,8H2,1H3,(H,21,22)