ethyl 2-(2-methyl-3-nitro-phenyl)-4-oxidanylidene-3H-pyrazole-5-carboxylate

Systemtic Name: ethyl 2-(2-methyl-3-nitro-phenyl)-4-oxidanylidene-3H-pyrazole-5-carboxylate Openeye Name: ethyl 2-(2-methyl-3-nitro-phenyl)-4-oxo-3H-pyrazole-5-carboxylate CAS Name: 2-(2-methyl-3-nitrophenyl)-4-oxo-3H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-methyl-3-nitrophenyl)-4-oxo-3H-pyrazole-5-carboxylate Traditional Name: 4-keto-1-(2-methyl-3-nitro-phenyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(CC1=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=NN(CC1=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H13N3O5/c1-3-21-13(18)12-11(17)7-15(14-12)9-5-4-6-10(8(9)2)16(19)20/h4-6H,3,7H2,1-2H3