5-(1,3-benzodioxol-5-yl)-1-methyl-indole-2-carboxylate

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-1-methyl-indole-2-carboxylate Openeye Name: 5-(1,3-benzodioxol-5-yl)-1-methyl-indole-2-carboxylate CAS Name: 5-(1,3-benzodioxol-5-yl)-1-methyl-2-indolecarboxylate IUPAC Name: 5-(1,3-benzodioxol-5-yl)-1-methylindole-2-carboxylate Traditional Name: 5-(1,3-benzodioxol-5-yl)-1-methyl-indole-2-carboxylate Formula: C17H12NO4- MolecularWeight: 294.28148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C3=CC4=C(C=C3)OCO4)C=C1C(=O)[O-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)C3=CC4=C(C=C3)OCO4)C=C1C(=O)[O-]

InChI

InChI=1S/C17H13NO4/c1-18-13-4-2-10(6-12(13)7-14(18)17(19)20)11-3-5-15-16(8-11)22-9-21-15/h2-8H,9H2,1H3,(H,19,20)/p-1