ethanedioic acid; 2-[4-(4-nitrophenoxy)butyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: ethanedioic acid; 2-[4-(4-nitrophenoxy)butyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[4-(4-nitrophenoxy)butyl]-3,4-dihydro-1H-isoquinoline; oxalic acid CAS Name: 2-[4-(4-nitrophenoxy)butyl]-3,4-dihydro-1H-isoquinoline; oxalic acid IUPAC Name: 2-[4-(4-nitrophenoxy)butyl]-3,4-dihydro-1H-isoquinoline; oxalic acid Traditional Name: 2-[4-(4-nitrophenoxy)butyl]-3,4-dihydro-1H-isoquinoline; oxalic acid Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CCCCOC3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CCCCOC3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C19H22N2O3.C2H2O4/c22-21(23)18-7-9-19(10-8-18)24-14-4-3-12-20-13-11-16-5-1-2-6-17(16)15-20;3-1(4)2(5)6/h1-2,5-10H,3-4,11-15H2;(H,3,4)(H,5,6)