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

Systemtic Name: 3-[(2-methyl-4-nitro-phenyl)amino]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 6-benzyl-3-(2-methyl-4-nitro-anilino)-2H-1,2,4-triazin-5-one CAS Name: 3-(2-methyl-4-nitroanilino)-6-(phenylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 6-benzyl-3-(2-methyl-4-nitroanilino)-2H-1,2,4-triazin-5-one Traditional Name: 6-benzyl-3-(2-methyl-4-nitro-anilino)-2H-1,2,4-triazin-5-one Formula: C17H15N5O3 MolecularWeight: 337.3327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC2=NC(=O)C(=NN2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC2=NC(=O)C(=NN2)CC3=CC=CC=C3

InChI

InChI=1S/C17H15N5O3/c1-11-9-13(22(24)25)7-8-14(11)18-17-19-16(23)15(20-21-17)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,18,19,21,23)