5-(6-nitro-1H-indol-3-yl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(6-nitro-1H-indol-3-yl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(6-nitro-1H-indol-3-yl)-5-oxo-pentanoic acid CAS Name: 5-(6-nitro-1H-indol-3-yl)-5-oxopentanoic acid IUPAC Name: 5-(6-nitro-1H-indol-3-yl)-5-oxopentanoic acid Traditional Name: 5-keto-5-(6-nitro-1H-indol-3-yl)valeric acid Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])NC=C2C(=O)CCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])NC=C2C(=O)CCCC(=O)O

InChI

InChI=1S/C13H12N2O5/c16-12(2-1-3-13(17)18)10-7-14-11-6-8(15(19)20)4-5-9(10)11/h4-7,14H,1-3H2,(H,17,18)