2,4-dinitrobenzoic acid; 1-[3-(2-methoxy-4-methyl-phenoxy)-1-oxidanyl-propyl]-4-quinoxalin-2-yl-piperidin-4-ol

Systemtic Name: 2,4-dinitrobenzoic acid; 1-[3-(2-methoxy-4-methyl-phenoxy)-1-oxidanyl-propyl]-4-quinoxalin-2-yl-piperidin-4-ol Openeye Name: 2,4-dinitrobenzoic acid; 1-[1-hydroxy-3-(2-methoxy-4-methyl-phenoxy)propyl]-4-quinoxalin-2-yl-piperidin-4-ol CAS Name: 2,4-dinitrobenzoic acid; 1-[1-hydroxy-3-(2-methoxy-4-methylphenoxy)propyl]-4-(2-quinoxalinyl)-4-piperidinol IUPAC Name: 2,4-dinitrobenzoic acid; 1-[1-hydroxy-3-(2-methoxy-4-methylphenoxy)propyl]-4-quinoxalin-2-ylpiperidin-4-ol Traditional Name: 2,4-dinitrobenzoic acid; 1-[1-hydroxy-3-(2-methoxy-4-methyl-phenoxy)propyl]-4-quinoxalin-2-yl-piperidin-4-ol Formula: C31H33N5O10 MolecularWeight: 635.62122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCC(N2CCC(CC2)(C3=NC4=CC=CC=C4N=C3)O)O)OC.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCC(N2CCC(CC2)(C3=NC4=CC=CC=C4N=C3)O)O)OC.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C24H29N3O4.C7H4N2O6/c1-17-7-8-20(21(15-17)30-2)31-14-9-23(28)27-12-10-24(29,11-13-27)22-16-25-18-5-3-4-6-19(18)26-22;10-7(11)5-2-1-4(8(12)13)3-6(5)9(14)15/h3-8,15-16,23,28-29H,9-14H2,1-2H3;1-3H,(H,10,11)