4-[(3-chloranyl-2-methyl-4-oxidanylidene-5-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)amino]benzoic acid

Systemtic Name: 4-[(3-chloranyl-2-methyl-4-oxidanylidene-5-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)amino]benzoic acid Openeye Name: 4-[(3-chloro-5-isopropyl-2-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino]benzoic acid CAS Name: 4-[(3-chloro-2-methyl-4-oxo-5-propan-2-yl-1-cyclohexa-2,5-dienylidene)amino]benzoic acid IUPAC Name: 4-[(3-chloro-2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino]benzoic acid Traditional Name: 4-[(3-chloro-5-isopropyl-4-keto-2-methyl-cyclohexa-2,5-dien-1-ylidene)amino]benzoic acid Formula: C17H16ClNO3 MolecularWeight: 317.76684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=CC1=NC2=CC=C(C=C2)C(=O)O)C(C)C)Cl

Isomeric SMILES

CC1=C(C(=O)C(=CC1=NC2=CC=C(C=C2)C(=O)O)C(C)C)Cl

InChI

InChI=1S/C17H16ClNO3/c1-9(2)13-8-14(10(3)15(18)16(13)20)19-12-6-4-11(5-7-12)17(21)22/h4-9H,1-3H3,(H,21,22)