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

Systemtic Name: 2-[[4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C20H17N7O4 MolecularWeight: 419.39348

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N7O4/c1-2-11-5-3-4-6-15(11)22-20-24-16(23-19(21)25-20)10-26-17(28)13-8-7-12(27(30)31)9-14(13)18(26)29/h3-9H,2,10H2,1H3,(H3,21,22,23,24,25)