4-[5-methyl-3-oxidanylidene-4-[(2E)-2-(2-oxidanylidene-4-sulfo-naphthalen-1-ylidene)hydrazinyl]-1H-pyrazol-2-yl]benzoic acid

Systemtic Name: 4-[5-methyl-3-oxidanylidene-4-[(2E)-2-(2-oxidanylidene-4-sulfo-naphthalen-1-ylidene)hydrazinyl]-1H-pyrazol-2-yl]benzoic acid Openeye Name: 4-[5-methyl-3-oxo-4-[(2E)-2-(2-oxo-4-sulfo-1-naphthylidene)hydrazino]-1H-pyrazol-2-yl]benzoic acid CAS Name: 4-[5-methyl-3-oxo-4-[(2E)-2-(2-oxo-4-sulfo-1-naphthalenylidene)hydrazinyl]-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 4-[5-methyl-3-oxo-4-[(2E)-2-(2-oxo-4-sulfonaphthalen-1-ylidene)hydrazinyl]-1H-pyrazol-2-yl]benzoic acid Traditional Name: 4-[5-keto-4-[(N'E)-N'-(2-keto-4-sulfo-1-naphthylidene)hydrazino]-3-methyl-3-pyrazolin-1-yl]benzoic acid Formula: C21H16N4O7S MolecularWeight: 468.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)O)NN=C3C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)O)N/N=C/3\C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O

InChI

InChI=1S/C21H16N4O7S/c1-11-18(20(27)25(24-11)13-8-6-12(7-9-13)21(28)29)22-23-19-15-5-3-2-4-14(15)17(10-16(19)26)33(30,31)32/h2-10,22,24H,1H3,(H,28,29)(H,30,31,32)/b23-19+