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

Systemtic Name: [4-azanyl-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]methyl 2-methyl-6-nitro-benzoate Openeye Name: [4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [4-amino-6-(4-chloroanilino)-s-triazin-2-yl]methyl ester Formula: C18H15ClN6O4 MolecularWeight: 414.8025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN6O4/c1-10-3-2-4-13(25(27)28)15(10)16(26)29-9-14-22-17(20)24-18(23-14)21-12-7-5-11(19)6-8-12/h2-8H,9H2,1H3,(H3,20,21,22,23,24)