3-(3-nitrophenyl)-5-(phenylmethyl)-1H-1,2,4-triazin-6-one

Systemtic Name: 3-(3-nitrophenyl)-5-(phenylmethyl)-1H-1,2,4-triazin-6-one Openeye Name: 5-benzyl-3-(3-nitrophenyl)-1H-1,2,4-triazin-6-one CAS Name: 3-(3-nitrophenyl)-5-(phenylmethyl)-1H-1,2,4-triazin-6-one IUPAC Name: 5-benzyl-3-(3-nitrophenyl)-1H-1,2,4-triazin-6-one Traditional Name: 5-benzyl-3-(3-nitrophenyl)-1H-1,2,4-triazin-6-one Formula: C16H12N4O3 MolecularWeight: 308.29148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=NNC2=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=NNC2=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O3/c21-16-14(9-11-5-2-1-3-6-11)17-15(18-19-16)12-7-4-8-13(10-12)20(22)23/h1-8,10H,9H2,(H,19,21)