2-[4-[(4-nitrophenyl)methyl]-5-oxidanylidene-3-propyl-1H-pyrazol-2-yl]ethanoic acid

Systemtic Name: 2-[4-[(4-nitrophenyl)methyl]-5-oxidanylidene-3-propyl-1H-pyrazol-2-yl]ethanoic acid Openeye Name: 2-[4-[(4-nitrophenyl)methyl]-5-oxo-3-propyl-1H-pyrazol-2-yl]acetic acid CAS Name: 2-[4-[(4-nitrophenyl)methyl]-5-oxo-3-propyl-1H-pyrazol-2-yl]acetic acid IUPAC Name: 2-[4-[(4-nitrophenyl)methyl]-5-oxo-3-propyl-1H-pyrazol-2-yl]acetic acid Traditional Name: 2-[3-keto-4-(4-nitrobenzyl)-5-propyl-3-pyrazolin-1-yl]acetic acid Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)NN1CC(=O)O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C(=O)NN1CC(=O)O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O5/c1-2-3-13-12(15(21)16-17(13)9-14(19)20)8-10-4-6-11(7-5-10)18(22)23/h4-7H,2-3,8-9H2,1H3,(H,16,21)(H,19,20)