2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1,4-dimethyl-pyrrole-3-carboxylic acid

Systemtic Name: 2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1,4-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 2-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]-1,4-dimethyl-pyrrole-3-carboxylic acid CAS Name: 2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1,4-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1,4-dimethylpyrrole-3-carboxylic acid Traditional Name: 2-[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]-1,4-dimethyl-pyrrole-3-carboxylic acid Formula: C16H17ClN2O3 MolecularWeight: 320.77078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2=C(C(=CN2C)C)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2=C(C(=CN2C)C)C(=O)O)Cl

InChI

InChI=1S/C16H17ClN2O3/c1-9-4-5-11(6-12(9)17)18-14(20)7-13-15(16(21)22)10(2)8-19(13)3/h4-6,8H,7H2,1-3H3,(H,18,20)(H,21,22)