2-[[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methylamino]-1-(4-nitrophenyl)ethanol; ethanedioic acid

Systemtic Name: 2-[[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methylamino]-1-(4-nitrophenyl)ethanol; ethanedioic acid Openeye Name: 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylamino]-1-(4-nitrophenyl)ethanol; oxalic acid CAS Name: 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylamino]-1-(4-nitrophenyl)ethanol; oxalic acid IUPAC Name: 2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylamino]-1-(4-nitrophenyl)ethanol; oxalic acid Traditional Name: 2-[[4-amino-6-(p-toluidino)-s-triazin-2-yl]methylamino]-1-(4-nitrophenyl)ethanol; oxalic acid Formula: C21H23N7O7 MolecularWeight: 485.45002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CNCC(C3=CC=C(C=C3)[N+](=O)[O-])O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CNCC(C3=CC=C(C=C3)[N+](=O)[O-])O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H21N7O3.C2H2O4/c1-12-2-6-14(7-3-12)22-19-24-17(23-18(20)25-19)11-21-10-16(27)13-4-8-15(9-5-13)26(28)29;3-1(4)2(5)6/h2-9,16,21,27H,10-11H2,1H3,(H3,20,22,23,24,25);(H,3,4)(H,5,6)