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

Systemtic Name: ethyl 4-[(4-chloranyl-2-nitro-phenyl)diazenyl]-5-oxidanylidene-1-phenyl-4H-pyrazole-3-carboxylate Openeye Name: ethyl 4-(4-chloro-2-nitro-phenyl)azo-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate CAS Name: 4-(4-chloro-2-nitrophenyl)azo-5-oxo-1-phenyl-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chloro-2-nitrophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate Traditional Name: 4-(4-chloro-2-nitro-phenyl)azo-5-keto-1-phenyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C18H14ClN5O5 MolecularWeight: 415.78726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN5O5/c1-2-29-18(26)16-15(17(25)23(22-16)12-6-4-3-5-7-12)21-20-13-9-8-11(19)10-14(13)24(27)28/h3-10,15H,2H2,1H3