4-azanyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one

Systemtic Name: 4-azanyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one Openeye Name: 4-amino-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one CAS Name: 4-amino-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one IUPAC Name: 4-amino-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one Traditional Name: 4-amino-2-(4-nitrobenzyl)-1,2,4-triazol-3-one Formula: C9H9N5O3 MolecularWeight: 235.19946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=O)N(C=N2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C(=O)N(C=N2)N)[N+](=O)[O-]

InChI

InChI=1S/C9H9N5O3/c10-12-6-11-13(9(12)15)5-7-1-3-8(4-2-7)14(16)17/h1-4,6H,5,10H2