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

Systemtic Name: methyl 4-[[4-azanyl-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methoxy]-3-nitro-benzoate Openeye Name: methyl 4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methoxy]-3-nitro-benzoate CAS Name: 4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methoxy]-3-nitrobenzoate Traditional Name: 4-[[4-amino-6-(o-anisidino)-s-triazin-2-yl]methoxy]-3-nitro-benzoic acid methyl ester Formula: C19H18N6O6 MolecularWeight: 426.38282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O6/c1-29-14-6-4-3-5-12(14)21-19-23-16(22-18(20)24-19)10-31-15-8-7-11(17(26)30-2)9-13(15)25(27)28/h3-9H,10H2,1-2H3,(H3,20,21,22,23,24)