ethyl 4-[(2-nitrophenyl)diazenyl]-5-oxidanylidene-1-phenyl-4H-pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[(2-nitrophenyl)diazenyl]-5-oxidanylidene-1-phenyl-4H-pyrazole-3-carboxylate Openeye Name: ethyl 4-(2-nitrophenyl)azo-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate CAS Name: 4-(2-nitrophenyl)azo-5-oxo-1-phenyl-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-nitrophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate Traditional Name: 5-keto-4-(2-nitrophenyl)azo-1-phenyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C18H15N5O5 MolecularWeight: 381.3422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1N=NC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C1N=NC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H15N5O5/c1-2-28-18(25)16-15(17(24)22(21-16)12-8-4-3-5-9-12)20-19-13-10-6-7-11-14(13)23(26)27/h3-11,15H,2H2,1H3