4-[(2E)-2-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-2-(2-hydroxyethyl)-3-oxidanylidene-2-phenyl-1H-pyrazol-2-ium-5-carboxamide

Systemtic Name: 4-[(2E)-2-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-2-(2-hydroxyethyl)-3-oxidanylidene-2-phenyl-1H-pyrazol-2-ium-5-carboxamide Openeye Name: 4-[(2E)-2-(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]-2-(2-hydroxyethyl)-3-oxo-2-phenyl-1H-pyrazol-2-ium-5-carboxamide CAS Name: 4-[(2E)-2-(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]-2-(2-hydroxyethyl)-3-oxo-2-phenyl-1H-pyrazol-2-ium-5-carboxamide IUPAC Name: 4-[(2E)-2-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-2-(2-hydroxyethyl)-3-oxo-2-phenyl-1H-pyrazol-2-ium-5-carboxamide Traditional Name: 4-[(N'E)-N'-(3-chloro-6-keto-cyclohexa-2,4-dien-1-ylidene)hydrazino]-1-(2-hydroxyethyl)-5-keto-1-phenyl-3-pyrazolin-1-ium-3-carboxamide Formula: C18H17ClN5O4+ MolecularWeight: 402.81168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2(C(=O)C(=C(N2)C(=O)N)NN=C3C=C(C=CC3=O)Cl)CCO

Isomeric SMILES

C1=CC=C(C=C1)[N+]2(C(=O)C(=C(N2)C(=O)N)N/N=C/3\C=C(C=CC3=O)Cl)CCO

InChI

InChI=1S/C18H16ClN5O4/c19-11-6-7-14(26)13(10-11)21-22-16-15(17(20)27)23-24(8-9-25,18(16)28)12-4-2-1-3-5-12/h1-7,10,25H,8-9H2,(H3-,20,21,22,23,26,27,28)/p+1