ethyl 4-[(3-azanyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)diazenyl]benzoate

Systemtic Name: ethyl 4-[(3-azanyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)diazenyl]benzoate Openeye Name: ethyl 4-[(3-amino-5-oxo-1,4-dihydropyrazol-4-yl)azo]benzoate CAS Name: 4-[(3-amino-5-oxo-1,4-dihydropyrazol-4-yl)azo]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-amino-5-oxo-1,4-dihydropyrazol-4-yl)diazenyl]benzoate Traditional Name: 4-[(3-amino-5-keto-2-pyrazolin-4-yl)azo]benzoic acid ethyl ester Formula: C12H13N5O3 MolecularWeight: 275.26332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=NC2C(=NNC2=O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=NC2C(=NNC2=O)N

InChI

InChI=1S/C12H13N5O3/c1-2-20-12(19)7-3-5-8(6-4-7)14-15-9-10(13)16-17-11(9)18/h3-6,9H,2H2,1H3,(H2,13,16)(H,17,18)