methyl 3-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-1H-indole-2-carboxylate CAS Name: 3-[[3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-1H-indole-2-carboxylate Traditional Name: 3-[[3-(1,3-benzodioxol-5-yl)acryloyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C20H16N2O5 MolecularWeight: 364.35144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C=CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H16N2O5/c1-25-20(24)19-18(13-4-2-3-5-14(13)21-19)22-17(23)9-7-12-6-8-15-16(10-12)27-11-26-15/h2-10,21H,11H2,1H3,(H,22,23)