2-butyl-1-methyl-5-nitro-indole; ethanedioic acid

Systemtic Name: 2-butyl-1-methyl-5-nitro-indole; ethanedioic acid Openeye Name: 2-butyl-1-methyl-5-nitro-indole; oxalic acid CAS Name: 2-butyl-1-methyl-5-nitroindole; oxalic acid IUPAC Name: 2-butyl-1-methyl-5-nitroindole; oxalic acid Traditional Name: 2-butyl-1-methyl-5-nitro-indole; oxalic acid Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(N1C)C=CC(=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CCCCC1=CC2=C(N1C)C=CC(=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C13H16N2O2.C2H2O4/c1-3-4-5-11-8-10-9-12(15(16)17)6-7-13(10)14(11)2;3-1(4)2(5)6/h6-9H,3-5H2,1-2H3;(H,3,4)(H,5,6)