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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2C(=O)C=C(N2)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)CN2C(=O)C=C(N2)N)[N+](=O)[O-]

InChI

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