4-(5-nitro-2-oxidanylidene-3H-indol-1-yl)butanoic acid

Systemtic Name: 4-(5-nitro-2-oxidanylidene-3H-indol-1-yl)butanoic acid Openeye Name: 4-(5-nitro-2-oxo-indolin-1-yl)butanoic acid CAS Name: 4-(5-nitro-2-oxo-3H-indol-1-yl)butanoic acid IUPAC Name: 4-(5-nitro-2-oxo-3H-indol-1-yl)butanoic acid Traditional Name: 4-(2-keto-5-nitro-indolin-1-yl)butyric acid Formula: C12H12N2O5 MolecularWeight: 264.23408

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)[N+](=O)[O-])N(C1=O)CCCC(=O)O

Isomeric SMILES

C1C2=C(C=CC(=C2)[N+](=O)[O-])N(C1=O)CCCC(=O)O

InChI

InChI=1S/C12H12N2O5/c15-11-7-8-6-9(14(18)19)3-4-10(8)13(11)5-1-2-12(16)17/h3-4,6H,1-2,5,7H2,(H,16,17)