4-(5-nitroindol-1-yl)butanoic acid

Systemtic Name: 4-(5-nitroindol-1-yl)butanoic acid Openeye Name: 4-(5-nitroindol-1-yl)butanoic acid CAS Name: 4-(5-nitro-1-indolyl)butanoic acid IUPAC Name: 4-(5-nitroindol-1-yl)butanoic acid Traditional Name: 4-(5-nitroindol-1-yl)butyric acid Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN2CCCC(=O)O)C=C1[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CN2CCCC(=O)O)C=C1[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O4/c15-12(16)2-1-6-13-7-5-9-8-10(14(17)18)3-4-11(9)13/h3-5,7-8H,1-2,6H2,(H,15,16)