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

Systemtic Name: ethyl 3-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-5-chloranyl-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-5-chloro-1H-indole-2-carboxylate CAS Name: 3-[[3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-5-chloro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-5-chloro-1H-indole-2-carboxylate Traditional Name: 3-[[3-(1,3-benzodioxol-5-yl)acryloyl]amino]-5-chloro-1H-indole-2-carboxylic acid ethyl ester Formula: C21H17ClN2O5 MolecularWeight: 412.82308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)C=CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H17ClN2O5/c1-2-27-21(26)20-19(14-10-13(22)5-6-15(14)23-20)24-18(25)8-4-12-3-7-16-17(9-12)29-11-28-16/h3-10,23H,2,11H2,1H3,(H,24,25)