[4-azanyl-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]methyl 5-nitrofuran-2-carboxylate

Systemtic Name: [4-azanyl-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]methyl 5-nitrofuran-2-carboxylate Openeye Name: [4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [4-amino-6-(4-chloroanilino)-s-triazin-2-yl]methyl ester Formula: C15H11ClN6O5 MolecularWeight: 390.73804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC=C(O3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC=C(O3)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H11ClN6O5/c16-8-1-3-9(4-2-8)18-15-20-11(19-14(17)21-15)7-26-13(23)10-5-6-12(27-10)22(24)25/h1-6H,7H2,(H3,17,18,19,20,21)