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

Systemtic Name: 4-chloranyl-2-(furan-2-ylmethylamino)-5-[(2-methyl-4-oxidanylidene-5-propan-2-yl-cyclohexa-2,5-dien-1-ylidene)amino]benzoic acid Openeye Name: 4-chloro-2-(2-furylmethylamino)-5-[(5-isopropyl-2-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino]benzoic acid CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-[(2-methyl-4-oxo-5-propan-2-yl-1-cyclohexa-2,5-dienylidene)amino]benzoic acid IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-[(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino]benzoic acid Traditional Name: 4-chloro-2-(2-furfurylamino)-5-[(5-isopropyl-4-keto-2-methyl-cyclohexa-2,5-dien-1-ylidene)amino]benzoic acid Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=CC1=NC2=C(C=C(C(=C2)C(=O)O)NCC3=CC=CO3)Cl)C(C)C

Isomeric SMILES

CC1=CC(=O)C(=CC1=NC2=C(C=C(C(=C2)C(=O)O)NCC3=CC=CO3)Cl)C(C)C

InChI

InChI=1S/C22H21ClN2O4/c1-12(2)15-8-18(13(3)7-21(15)26)25-20-9-16(22(27)28)19(10-17(20)23)24-11-14-5-4-6-29-14/h4-10,12,24H,11H2,1-3H3,(H,27,28)