2-cyano-2-(3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)-3H-pyrrole-1-carboxylic acid

Systemtic Name: 2-cyano-2-(3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)-3H-pyrrole-1-carboxylic acid Openeye Name: 2-cyano-2-(3,3-dimethyl-2-oxo-indolin-5-yl)-3H-pyrrole-1-carboxylic acid CAS Name: 2-cyano-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-3H-pyrrole-1-carboxylic acid IUPAC Name: 2-cyano-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-3H-pyrrole-1-carboxylic acid Traditional Name: 2-cyano-2-(2-keto-3,3-dimethyl-indolin-5-yl)-2-pyrroline-1-carboxylic acid Formula: C16H15N3O3 MolecularWeight: 297.3086

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3(CC=CN3C(=O)O)C#N)NC1=O)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3(CC=CN3C(=O)O)C#N)NC1=O)C

InChI

InChI=1S/C16H15N3O3/c1-15(2)11-8-10(4-5-12(11)18-13(15)20)16(9-17)6-3-7-19(16)14(21)22/h3-5,7-8H,6H2,1-2H3,(H,18,20)(H,21,22)