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

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C21H22N6O6 MolecularWeight: 454.43598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

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