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

Systemtic Name: 3-[(3-nitrophenyl)amino]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 6-benzyl-3-(3-nitroanilino)-2H-1,2,4-triazin-5-one CAS Name: 3-(3-nitroanilino)-6-(phenylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 6-benzyl-3-(3-nitroanilino)-2H-1,2,4-triazin-5-one Traditional Name: 6-benzyl-3-(3-nitroanilino)-2H-1,2,4-triazin-5-one Formula: C16H13N5O3 MolecularWeight: 323.30612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NNC(=NC2=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NNC(=NC2=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O3/c22-15-14(9-11-5-2-1-3-6-11)19-20-16(18-15)17-12-7-4-8-13(10-12)21(23)24/h1-8,10H,9H2,(H2,17,18,20,22)