6-methyl-3-[(4-nitrophenyl)amino]-2H-1,2,4-triazin-5-one

Systemtic Name: 6-methyl-3-[(4-nitrophenyl)amino]-2H-1,2,4-triazin-5-one Openeye Name: 6-methyl-3-(4-nitroanilino)-2H-1,2,4-triazin-5-one CAS Name: 6-methyl-3-(4-nitroanilino)-2H-1,2,4-triazin-5-one IUPAC Name: 6-methyl-3-(4-nitroanilino)-2H-1,2,4-triazin-5-one Traditional Name: 6-methyl-3-(4-nitroanilino)-2H-1,2,4-triazin-5-one Formula: C10H9N5O3 MolecularWeight: 247.21016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=NC1=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NNC(=NC1=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H9N5O3/c1-6-9(16)12-10(14-13-6)11-7-2-4-8(5-3-7)15(17)18/h2-5H,1H3,(H2,11,12,14,16)