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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-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 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C21H22N6O6 MolecularWeight: 454.43598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3C)N)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3C)N)OC

InChI

InChI=1S/C21H22N6O6/c1-4-32-17-10-15(27(29)30)13(9-16(17)31-3)19(28)33-11-18-24-20(22)26-21(25-18)23-14-8-6-5-7-12(14)2/h5-10H,4,11H2,1-3H3,(H3,22,23,24,25,26)