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

Systemtic Name: [4-azanyl-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl]methyl 3-methyl-4-nitro-benzoate Openeye Name: [4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic 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 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [4-amino-6-(4-fluoroanilino)-s-triazin-2-yl]methyl ester Formula: C18H15FN6O4 MolecularWeight: 398.347903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N)[N+](=O)[O-]

InChI

InChI=1S/C18H15FN6O4/c1-10-8-11(2-7-14(10)25(27)28)16(26)29-9-15-22-17(20)24-18(23-15)21-13-5-3-12(19)4-6-13/h2-8H,9H2,1H3,(H3,20,21,22,23,24)