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

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 2-nitrobenzoate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C18H16N6O4 MolecularWeight: 380.35744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O4/c1-11-6-8-12(9-7-11)20-18-22-15(21-17(19)23-18)10-28-16(25)13-4-2-3-5-14(13)24(26)27/h2-9H,10H2,1H3,(H3,19,20,21,22,23)