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

Systemtic Name: [4-azanyl-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl 2-chloranyl-5-nitro-benzoate Openeye Name: [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [4-amino-6-(o-anisidino)-s-triazin-2-yl]methyl ester Formula: C18H15ClN6O5 MolecularWeight: 430.8019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN6O5/c1-29-14-5-3-2-4-13(14)21-18-23-15(22-17(20)24-18)9-30-16(26)11-8-10(25(27)28)6-7-12(11)19/h2-8H,9H2,1H3,(H3,20,21,22,23,24)