3-[5-(3-ethyl-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-(1-methylbenzimidazol-2-yl)-1,2-dihydropyrazol-3-yl]propanoate

Systemtic Name: 3-[5-(3-ethyl-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-4-(1-methylbenzimidazol-2-yl)-1,2-dihydropyrazol-3-yl]propanoate Openeye Name: 3-[5-(3-ethyl-4-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-4-(1-methylbenzimidazol-2-yl)-1,2-dihydropyrazol-3-yl]propanoate CAS Name: 3-[5-(3-ethyl-4-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-4-(1-methyl-2-benzimidazolyl)-1,2-dihydropyrazol-3-yl]propanoate IUPAC Name: 3-[5-(3-ethyl-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(1-methylbenzimidazol-2-yl)-1,2-dihydropyrazol-3-yl]propanoate Traditional Name: 3-[5-(3-ethyl-4-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)-4-(1-methylbenzimidazol-2-yl)-3-pyrazolin-3-yl]propionate Formula: C22H21N4O4- MolecularWeight: 405.42654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C(NN2)CCC(=O)[O-])C3=NC4=CC=CC=C4N3C)C(=O)C=C1O

Isomeric SMILES

CCC1=CC(=C2C(=C(NN2)CCC(=O)[O-])C3=NC4=CC=CC=C4N3C)C(=O)C=C1O

InChI

InChI=1S/C22H22N4O4/c1-3-12-10-13(18(28)11-17(12)27)21-20(15(24-25-21)8-9-19(29)30)22-23-14-6-4-5-7-16(14)26(22)2/h4-7,10-11,24-25,27H,3,8-9H2,1-2H3,(H,29,30)/p-1