2-[[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C19H15N7O4 MolecularWeight: 405.3669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N7O4/c1-10-4-2-3-5-14(10)21-19-23-15(22-18(20)24-19)9-25-16(27)12-7-6-11(26(29)30)8-13(12)17(25)28/h2-8H,9H2,1H3,(H3,20,21,22,23,24)