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

Systemtic Name: 5-azanyl-2-[(3-nitrophenyl)methyl]-1H-pyrazol-3-one Openeye Name: 5-amino-2-[(3-nitrophenyl)methyl]-1H-pyrazol-3-one CAS Name: 5-amino-2-[(3-nitrophenyl)methyl]-1H-pyrazol-3-one IUPAC Name: 5-amino-2-[(3-nitrophenyl)methyl]-1H-pyrazol-3-one Traditional Name: 5-amino-2-(3-nitrobenzyl)-3-pyrazolin-3-one Formula: C10H10N4O3 MolecularWeight: 234.2114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N4O3/c11-9-5-10(15)13(12-9)6-7-2-1-3-8(4-7)14(16)17/h1-5,12H,6,11H2