[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C10H11N7O4 MolecularWeight: 293.23884

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC2=NC(=NC(=N2)N)N)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC2=NC(=NC(=N2)N)N)[N+](=O)[O-]

InChI

InChI=1S/C10H11N7O4/c1-16-3-5(17(19)20)2-6(16)8(18)21-4-7-13-9(11)15-10(12)14-7/h2-3H,4H2,1H3,(H4,11,12,13,14,15)