ethanedioic acid; N-methyl-4-(4-nitrophenyl)butan-1-amine

Systemtic Name: ethanedioic acid; N-methyl-4-(4-nitrophenyl)butan-1-amine Openeye Name: N-methyl-4-(4-nitrophenyl)butan-1-amine; oxalic acid CAS Name: N-methyl-4-(4-nitrophenyl)-1-butanamine; oxalic acid IUPAC Name: N-methyl-4-(4-nitrophenyl)butan-1-amine; oxalic acid Traditional Name: methyl-[4-(4-nitrophenyl)butyl]amine; oxalic acid Formula: C13H18N2O6 MolecularWeight: 298.29182

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCCC1=CC=C(C=C1)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CNCCCCC1=CC=C(C=C1)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C11H16N2O2.C2H2O4/c1-12-9-3-2-4-10-5-7-11(8-6-10)13(14)15;3-1(4)2(5)6/h5-8,12H,2-4,9H2,1H3;(H,3,4)(H,5,6)