ethanedioic acid; 2-(1H-indol-3-yl)-N-[(3-nitrophenyl)methyl]ethanamine

Systemtic Name: ethanedioic acid; 2-(1H-indol-3-yl)-N-[(3-nitrophenyl)methyl]ethanamine Openeye Name: 2-(1H-indol-3-yl)-N-[(3-nitrophenyl)methyl]ethanamine; oxalic acid CAS Name: 2-(1H-indol-3-yl)-N-[(3-nitrophenyl)methyl]ethanamine; oxalic acid IUPAC Name: 2-(1H-indol-3-yl)-N-[(3-nitrophenyl)methyl]ethanamine; oxalic acid Traditional Name: 2-(1H-indol-3-yl)ethyl-(3-nitrobenzyl)amine; oxalic acid Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCNCC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCNCC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C17H17N3O2.C2H2O4/c21-20(22)15-5-3-4-13(10-15)11-18-9-8-14-12-19-17-7-2-1-6-16(14)17;3-1(4)2(5)6/h1-7,10,12,18-19H,8-9,11H2;(H,3,4)(H,5,6)