(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H21N7O5 MolecularWeight: 451.43534

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C21H21N7O5/c22-20-24-18(25-21(26-20)23-14-4-2-1-3-5-14)13-33-19(29)16-12-15(28(30)31)6-7-17(16)27-8-10-32-11-9-27/h1-7,12H,8-11,13H2,(H3,22,23,24,25,26)