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

Systemtic Name: ethyl 2-[2-methyl-4-[(4-nitrophenyl)methyl]-3-oxidanylidene-5-propyl-pyrazol-1-yl]ethanoate Openeye Name: ethyl 2-[2-methyl-4-[(4-nitrophenyl)methyl]-3-oxo-5-propyl-pyrazol-1-yl]acetate CAS Name: 2-[2-methyl-4-[(4-nitrophenyl)methyl]-3-oxo-5-propyl-1-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-methyl-4-[(4-nitrophenyl)methyl]-3-oxo-5-propylpyrazol-1-yl]acetate Traditional Name: 2-[3-keto-2-methyl-4-(4-nitrobenzyl)-5-propyl-3-pyrazolin-1-yl]acetic acid ethyl ester Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1CC(=O)OCC)C)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C(=O)N(N1CC(=O)OCC)C)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O5/c1-4-6-16-15(11-13-7-9-14(10-8-13)21(24)25)18(23)19(3)20(16)12-17(22)26-5-2/h7-10H,4-6,11-12H2,1-3H3