5-azanyl-4-methyl-2-[(4-nitrophenyl)methyl]-1H-pyrazol-3-one

Systemtic Name: 5-azanyl-4-methyl-2-[(4-nitrophenyl)methyl]-1H-pyrazol-3-one Openeye Name: 5-amino-4-methyl-2-[(4-nitrophenyl)methyl]-1H-pyrazol-3-one CAS Name: 5-amino-4-methyl-2-[(4-nitrophenyl)methyl]-1H-pyrazol-3-one IUPAC Name: 5-amino-4-methyl-2-[(4-nitrophenyl)methyl]-1H-pyrazol-3-one Traditional Name: 5-amino-4-methyl-2-(4-nitrobenzyl)-3-pyrazolin-3-one Formula: C11H12N4O3 MolecularWeight: 248.23798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN(C1=O)CC2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

CC1=C(NN(C1=O)CC2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C11H12N4O3/c1-7-10(12)13-14(11(7)16)6-8-2-4-9(5-3-8)15(17)18/h2-5,13H,6,12H2,1H3