3-[3-oxidanylidene-4-[(Z)-(2-oxidanylidenenaphthalen-1-ylidene)methyl]-5-phenyl-1H-pyrazol-2-yl]benzoic acid

Systemtic Name: 3-[3-oxidanylidene-4-[(Z)-(2-oxidanylidenenaphthalen-1-ylidene)methyl]-5-phenyl-1H-pyrazol-2-yl]benzoic acid Openeye Name: 3-[3-oxo-4-[(Z)-(2-oxo-1-naphthylidene)methyl]-5-phenyl-1H-pyrazol-2-yl]benzoic acid CAS Name: 3-[3-oxo-4-[(Z)-(2-oxo-1-naphthalenylidene)methyl]-5-phenyl-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 3-[3-oxo-4-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-5-phenyl-1H-pyrazol-2-yl]benzoic acid Traditional Name: 3-[5-keto-4-[(Z)-(2-keto-1-naphthylidene)methyl]-3-phenyl-3-pyrazolin-1-yl]benzoic acid Formula: C27H18N2O4 MolecularWeight: 434.44282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N(N2)C3=CC=CC(=C3)C(=O)O)C=C4C(=O)C=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N(N2)C3=CC=CC(=C3)C(=O)O)/C=C/4\C(=O)C=CC5=CC=CC=C54

InChI

InChI=1S/C27H18N2O4/c30-24-14-13-17-7-4-5-12-21(17)22(24)16-23-25(18-8-2-1-3-9-18)28-29(26(23)31)20-11-6-10-19(15-20)27(32)33/h1-16,28H,(H,32,33)/b22-16-