dodecyl 4-methanoyl-2-(4-nitrophenyl)-3-oxidanylidene-1H-pyrazole-5-carboxylate

Systemtic Name: dodecyl 4-methanoyl-2-(4-nitrophenyl)-3-oxidanylidene-1H-pyrazole-5-carboxylate Openeye Name: dodecyl 4-formyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazole-5-carboxylate CAS Name: 4-formyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid dodecyl ester IUPAC Name: dodecyl 4-formyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazole-5-carboxylate Traditional Name: 4-formyl-5-keto-1-(4-nitrophenyl)-3-pyrazoline-3-carboxylic acid lauryl ester Formula: C23H31N3O6 MolecularWeight: 445.50874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C=O

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=C(C(=O)N(N1)C2=CC=C(C=C2)[N+](=O)[O-])C=O

InChI

InChI=1S/C23H31N3O6/c1-2-3-4-5-6-7-8-9-10-11-16-32-23(29)21-20(17-27)22(28)25(24-21)18-12-14-19(15-13-18)26(30)31/h12-15,17,24H,2-11,16H2,1H3