6-morpholin-4-yl-N4-(4-nitrophenyl)-N2-[(E)-1-phenylethylideneamino]-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-morpholin-4-yl-N4-(4-nitrophenyl)-N2-[(E)-1-phenylethylideneamino]-1,3,5-triazine-2,4-diamine Openeye Name: 6-morpholino-N4-(4-nitrophenyl)-N2-[(E)-1-phenylethylideneamino]-1,3,5-triazine-2,4-diamine CAS Name: 6-(4-morpholinyl)-N4-(4-nitrophenyl)-N2-[(E)-1-phenylethylideneamino]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-morpholin-4-yl-4-N-(4-nitrophenyl)-2-N-[(E)-1-phenylethylideneamino]-1,3,5-triazine-2,4-diamine Traditional Name: [4-morpholino-6-(4-nitroanilino)-s-triazin-2-yl]-[(E)-1-phenylethylideneamino]amine Formula: C21H22N8O3 MolecularWeight: 434.45118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC(=NC(=N1)NC2=CC=C(C=C2)[N+](=O)[O-])N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

C/C(=N\NC1=NC(=NC(=N1)NC2=CC=C(C=C2)[N+](=O)[O-])N3CCOCC3)/C4=CC=CC=C4

InChI

InChI=1S/C21H22N8O3/c1-15(16-5-3-2-4-6-16)26-27-20-23-19(22-17-7-9-18(10-8-17)29(30)31)24-21(25-20)28-11-13-32-14-12-28/h2-10H,11-14H2,1H3,(H2,22,23,24,25,27)/b26-15+