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

Systemtic Name: [4-azanyl-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [4-amino-6-(o-anisidino)-s-triazin-2-yl]methyl ester Formula: C17H17N7O5 MolecularWeight: 399.36078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3OC)N)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3OC)N)[N+](=O)[O-]

InChI

InChI=1S/C17H17N7O5/c1-23-8-10(24(26)27)7-12(23)15(25)29-9-14-20-16(18)22-17(21-14)19-11-5-3-4-6-13(11)28-2/h3-8H,9H2,1-2H3,(H3,18,19,20,21,22)