3-methyl-2-[[2-(5-nitro-1H-indol-3-yl)-2-oxidanylidene-ethanoyl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[2-(5-nitro-1H-indol-3-yl)-2-oxidanylidene-ethanoyl]amino]butanoic acid Openeye Name: 3-methyl-2-[[2-(5-nitro-1H-indol-3-yl)-2-oxo-acetyl]amino]butanoic acid CAS Name: 3-methyl-2-[[2-(5-nitro-1H-indol-3-yl)-1,2-dioxoethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-(5-nitro-1H-indol-3-yl)-2-oxoacetyl]amino]butanoic acid Traditional Name: 2-[[2-keto-2-(5-nitro-1H-indol-3-yl)acetyl]amino]-3-methyl-butyric acid Formula: C15H15N3O6 MolecularWeight: 333.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(=O)C1=CNC2=C1C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(=O)C1=CNC2=C1C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O6/c1-7(2)12(15(21)22)17-14(20)13(19)10-6-16-11-4-3-8(18(23)24)5-9(10)11/h3-7,12,16H,1-2H3,(H,17,20)(H,21,22)