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

Systemtic Name: [4-azanyl-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic 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 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [4-amino-6-(o-anisidino)-s-triazin-2-yl]methyl ester Formula: C22H23N7O5 MolecularWeight: 465.46192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C22H23N7O5/c1-33-18-7-3-2-6-16(18)24-22-26-19(25-21(23)27-22)13-34-20(30)15-12-14(29(31)32)8-9-17(15)28-10-4-5-11-28/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H3,23,24,25,26,27)