methyl 2-azanyl-1-(4-chlorophenyl)-3-cyano-7a-methyl-5-oxidanylidene-indole-7-carboxylate

Systemtic Name: methyl 2-azanyl-1-(4-chlorophenyl)-3-cyano-7a-methyl-5-oxidanylidene-indole-7-carboxylate Openeye Name: methyl 2-amino-1-(4-chlorophenyl)-3-cyano-7a-methyl-5-oxo-indole-7-carboxylate CAS Name: 2-amino-1-(4-chlorophenyl)-3-cyano-7a-methyl-5-oxo-7-indolecarboxylic acid methyl ester IUPAC Name: methyl 2-amino-1-(4-chlorophenyl)-3-cyano-7a-methyl-5-oxoindole-7-carboxylate Traditional Name: 2-amino-1-(4-chlorophenyl)-3-cyano-5-keto-7a-methyl-indole-7-carboxylic acid methyl ester Formula: C18H14ClN3O3 MolecularWeight: 355.77506

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Descriptors Computed from Structure

Canonical SMILES:

CC12C(=CC(=O)C=C1C(=O)OC)C(=C(N2C3=CC=C(C=C3)Cl)N)C#N

Isomeric SMILES

CC12C(=CC(=O)C=C1C(=O)OC)C(=C(N2C3=CC=C(C=C3)Cl)N)C#N

InChI

InChI=1S/C18H14ClN3O3/c1-18-14(7-12(23)8-15(18)17(24)25-2)13(9-20)16(21)22(18)11-5-3-10(19)4-6-11/h3-8H,21H2,1-2H3