1-(2-azanyl-1-cyano-2-oxidanylidene-ethyl)-2,5-dimethyl-4-phenyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-(2-azanyl-1-cyano-2-oxidanylidene-ethyl)-2,5-dimethyl-4-phenyl-pyrrole-3-carboxylic acid Openeye Name: 1-(2-amino-1-cyano-2-oxo-ethyl)-2,5-dimethyl-4-phenyl-pyrrole-3-carboxylic acid CAS Name: 1-(2-amino-1-cyano-2-oxoethyl)-2,5-dimethyl-4-phenyl-3-pyrrolecarboxylic acid IUPAC Name: 1-(2-amino-1-cyano-2-oxoethyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylic acid Traditional Name: 1-(2-amino-1-cyano-2-keto-ethyl)-2,5-dimethyl-4-phenyl-pyrrole-3-carboxylic acid Formula: C16H15N3O3 MolecularWeight: 297.3086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C(C#N)C(=O)N)C)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(N1C(C#N)C(=O)N)C)C(=O)O)C2=CC=CC=C2

InChI

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