ethyl 2-[5-butyl-2-methyl-4-[(4-nitrophenyl)methyl]-3-oxidanylidene-pyrazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[5-butyl-2-methyl-4-[(4-nitrophenyl)methyl]-3-oxidanylidene-pyrazol-1-yl]ethanoate Openeye Name: ethyl 2-[5-butyl-2-methyl-4-[(4-nitrophenyl)methyl]-3-oxo-pyrazol-1-yl]acetate CAS Name: 2-[5-butyl-2-methyl-4-[(4-nitrophenyl)methyl]-3-oxo-1-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-butyl-2-methyl-4-[(4-nitrophenyl)methyl]-3-oxopyrazol-1-yl]acetate Traditional Name: 2-[5-butyl-3-keto-2-methyl-4-(4-nitrobenzyl)-3-pyrazolin-1-yl]acetic acid ethyl ester Formula: C19H25N3O5 MolecularWeight: 375.4189

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N(N1CC(=O)OCC)C)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C(=O)N(N1CC(=O)OCC)C)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O5/c1-4-6-7-17-16(12-14-8-10-15(11-9-14)22(25)26)19(24)20(3)21(17)13-18(23)27-5-2/h8-11H,4-7,12-13H2,1-3H3