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

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C18H13N7O4 MolecularWeight: 391.34032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N7O4/c19-17-21-14(22-18(23-17)20-10-4-2-1-3-5-10)9-24-15(26)12-7-6-11(25(28)29)8-13(12)16(24)27/h1-8H,9H2,(H3,19,20,21,22,23)