4-[3-oxidanylidene-4-(phenylmethoxycarbonylamino)-1H-pyrazol-2-yl]benzoic acid

Systemtic Name: 4-[3-oxidanylidene-4-(phenylmethoxycarbonylamino)-1H-pyrazol-2-yl]benzoic acid Openeye Name: 4-[4-(benzyloxycarbonylamino)-3-oxo-1H-pyrazol-2-yl]benzoic acid CAS Name: 4-[3-oxo-4-(phenylmethoxycarbonylamino)-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 4-[3-oxo-4-(phenylmethoxycarbonylamino)-1H-pyrazol-2-yl]benzoic acid Traditional Name: 4-[4-(benzyloxycarbonylamino)-5-keto-3-pyrazolin-1-yl]benzoic acid Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=CNN(C2=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=CNN(C2=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H15N3O5/c22-16-15(20-18(25)26-11-12-4-2-1-3-5-12)10-19-21(16)14-8-6-13(7-9-14)17(23)24/h1-10,19H,11H2,(H,20,25)(H,23,24)