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

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 2-chloranyl-5-nitro-benzoate Openeye Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-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 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C19H17ClN6O4 MolecularWeight: 428.82908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN6O4/c1-2-11-5-3-4-6-15(11)22-19-24-16(23-18(21)25-19)10-30-17(27)13-9-12(26(28)29)7-8-14(13)20/h3-9H,2,10H2,1H3,(H3,21,22,23,24,25)