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

Systemtic Name: [4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 2-methyl-5-nitro-pyridine-3-carboxylate Openeye Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-methyl-5-nitro-pyridine-3-carboxylate CAS Name: 2-methyl-5-nitro-3-pyridinecarboxylic acid [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-methyl-5-nitropyridine-3-carboxylate Traditional Name: 2-methyl-5-nitro-nicotinic acid [4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl ester Formula: C17H14FN7O4 MolecularWeight: 399.335963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(C=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N)[N+](=O)[O-]

InChI

InChI=1S/C17H14FN7O4/c1-9-13(6-12(7-20-9)25(27)28)15(26)29-8-14-22-16(19)24-17(23-14)21-11-4-2-10(18)3-5-11/h2-7H,8H2,1H3,(H3,19,21,22,23,24)