ethanedioic acid; 4-(5-methyl-2-nitro-phenoxy)-N-(2-morpholin-4-ylethyl)butan-1-amine

Systemtic Name: ethanedioic acid; 4-(5-methyl-2-nitro-phenoxy)-N-(2-morpholin-4-ylethyl)butan-1-amine Openeye Name: 4-(5-methyl-2-nitro-phenoxy)-N-(2-morpholinoethyl)butan-1-amine; oxalic acid CAS Name: 4-(5-methyl-2-nitrophenoxy)-N-[2-(4-morpholinyl)ethyl]-1-butanamine; oxalic acid IUPAC Name: 4-(5-methyl-2-nitrophenoxy)-N-(2-morpholin-4-ylethyl)butan-1-amine; oxalic acid Traditional Name: 4-(5-methyl-2-nitro-phenoxy)butyl-(2-morpholinoethyl)amine; oxalic acid Formula: C19H29N3O8 MolecularWeight: 427.44886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCCCNCCN2CCOCC2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])OCCCCNCCN2CCOCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H27N3O4.C2H2O4/c1-15-4-5-16(20(21)22)17(14-15)24-11-3-2-6-18-7-8-19-9-12-23-13-10-19;3-1(4)2(5)6/h4-5,14,18H,2-3,6-13H2,1H3;(H,3,4)(H,5,6)