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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 2-methyl-3-nitro-benzoate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C19H18N6O4 MolecularWeight: 394.38402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H18N6O4/c1-11-6-3-4-8-14(11)21-19-23-16(22-18(20)24-19)10-29-17(26)13-7-5-9-15(12(13)2)25(27)28/h3-9H,10H2,1-2H3,(H3,20,21,22,23,24)