methyl 1-(2-cyano-1-oxidanyl-prop-2-enyl)-9H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: methyl 1-(2-cyano-1-oxidanyl-prop-2-enyl)-9H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl 1-(2-cyano-1-hydroxy-allyl)-9H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 1-(2-cyano-1-hydroxyprop-2-enyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(2-cyano-1-hydroxyprop-2-enyl)-9H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 1-(2-cyano-1-hydroxy-allyl)-9H-$b-carboline-3-carboxylic acid methyl ester Formula: C17H13N3O3 MolecularWeight: 307.30342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C(C(=C)C#N)O

Isomeric SMILES

COC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C(C(=C)C#N)O

InChI

InChI=1S/C17H13N3O3/c1-9(8-18)16(21)15-14-11(7-13(20-15)17(22)23-2)10-5-3-4-6-12(10)19-14/h3-7,16,19,21H,1H2,2H3