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

Systemtic Name: 3-[(3-nitrophenyl)amino]-6-[(4-propan-2-ylphenyl)methyl]-2H-1,2,4-triazin-5-one Openeye Name: 6-[(4-isopropylphenyl)methyl]-3-(3-nitroanilino)-2H-1,2,4-triazin-5-one CAS Name: 3-(3-nitroanilino)-6-[(4-propan-2-ylphenyl)methyl]-2H-1,2,4-triazin-5-one IUPAC Name: 3-(3-nitroanilino)-6-[(4-propan-2-ylphenyl)methyl]-2H-1,2,4-triazin-5-one Traditional Name: 6-(4-isopropylbenzyl)-3-(3-nitroanilino)-2H-1,2,4-triazin-5-one Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O3/c1-12(2)14-8-6-13(7-9-14)10-17-18(25)21-19(23-22-17)20-15-4-3-5-16(11-15)24(26)27/h3-9,11-12H,10H2,1-2H3,(H2,20,21,23,25)