4-[4-[(1E)-4-aminocarbonyl-5-azanyl-5-oxidanylidene-penta-1,3-dienyl]-5-carboxyoxy-3-oxidanylidene-1H-pyrazol-2-yl]benzoic acid

Systemtic Name: 4-[4-[(1E)-4-aminocarbonyl-5-azanyl-5-oxidanylidene-penta-1,3-dienyl]-5-carboxyoxy-3-oxidanylidene-1H-pyrazol-2-yl]benzoic acid Openeye Name: 4-[4-[(1E)-5-amino-4-carbamoyl-5-oxo-penta-1,3-dienyl]-5-carboxyoxy-3-oxo-1H-pyrazol-2-yl]benzoic acid CAS Name: 4-[4-[(1E)-5-amino-4-carbamoyl-5-oxopenta-1,3-dienyl]-5-carboxyoxy-3-oxo-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 4-[4-[(1E)-5-amino-4-carbamoyl-5-oxopenta-1,3-dienyl]-5-carboxyoxy-3-oxo-1H-pyrazol-2-yl]benzoic acid Traditional Name: 4-[4-[(1E)-5-amino-4-carbamoyl-5-keto-penta-1,3-dienyl]-3-carboxyoxy-5-keto-3-pyrazolin-1-yl]benzoic acid Formula: C17H14N4O8 MolecularWeight: 402.31506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N2C(=O)C(=C(N2)OC(=O)O)C=CC=C(C(=O)N)C(=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N2C(=O)C(=C(N2)OC(=O)O)/C=C/C=C(C(=O)N)C(=O)N

InChI

InChI=1S/C17H14N4O8/c18-12(22)10(13(19)23)2-1-3-11-14(29-17(27)28)20-21(15(11)24)9-6-4-8(5-7-9)16(25)26/h1-7,20H,(H2,18,22)(H2,19,23)(H,25,26)(H,27,28)/b3-1+