3-[4-[(E)-(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-3-oxidanylidene-5-propyl-1H-pyrazol-2-yl]benzoic acid

Systemtic Name: 3-[4-[(E)-(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-3-oxidanylidene-5-propyl-1H-pyrazol-2-yl]benzoic acid Openeye Name: 3-[4-[(E)-(5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-3-oxo-5-propyl-1H-pyrazol-2-yl]benzoic acid CAS Name: 3-[4-[(E)-(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-3-oxo-5-propyl-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 3-[4-[(E)-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-3-oxo-5-propyl-1H-pyrazol-2-yl]benzoic acid Traditional Name: 3-[5-keto-4-[(E)-(6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methyl]-3-propyl-3-pyrazolin-1-yl]benzoic acid Formula: C21H20N2O5 MolecularWeight: 380.3939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=CC=CC(=C2)C(=O)O)C=C3C=CC=C(C3=O)OC

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=CC(=C2)C(=O)O)/C=C/3\C=CC=C(C3=O)OC

InChI

InChI=1S/C21H20N2O5/c1-3-6-17-16(12-13-7-5-10-18(28-2)19(13)24)20(25)23(22-17)15-9-4-8-14(11-15)21(26)27/h4-5,7-12,22H,3,6H2,1-2H3,(H,26,27)/b13-12+