ethanedioic acid; N-[4-(3-methyl-4-nitro-phenoxy)butyl]cyclopentanamine

Systemtic Name: ethanedioic acid; N-[4-(3-methyl-4-nitro-phenoxy)butyl]cyclopentanamine Openeye Name: N-[4-(3-methyl-4-nitro-phenoxy)butyl]cyclopentanamine; oxalic acid CAS Name: N-[4-(3-methyl-4-nitrophenoxy)butyl]cyclopentanamine; oxalic acid IUPAC Name: N-[4-(3-methyl-4-nitrophenoxy)butyl]cyclopentanamine; oxalic acid Traditional Name: cyclopentyl-[4-(3-methyl-4-nitro-phenoxy)butyl]amine; oxalic acid Formula: C18H26N2O7 MolecularWeight: 382.40824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCCNC2CCCC2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCCNC2CCCC2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C16H24N2O3.C2H2O4/c1-13-12-15(8-9-16(13)18(19)20)21-11-5-4-10-17-14-6-2-3-7-14;3-1(4)2(5)6/h8-9,12,14,17H,2-7,10-11H2,1H3;(H,3,4)(H,5,6)