2-[[4-(2-methoxyethoxy)-2-nitro-phenyl]diazenyl]-3-oxidanylidene-butanoic acid

Systemtic Name: 2-[[4-(2-methoxyethoxy)-2-nitro-phenyl]diazenyl]-3-oxidanylidene-butanoic acid Openeye Name: 2-[4-(2-methoxyethoxy)-2-nitro-phenyl]azo-3-oxo-butanoic acid CAS Name: 2-[4-(2-methoxyethoxy)-2-nitrophenyl]azo-3-oxobutanoic acid IUPAC Name: 2-[[4-(2-methoxyethoxy)-2-nitrophenyl]diazenyl]-3-oxobutanoic acid Traditional Name: 3-keto-2-[4-(2-methoxyethoxy)-2-nitro-phenyl]azo-butyric acid Formula: C13H15N3O7 MolecularWeight: 325.2741

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)O)N=NC1=C(C=C(C=C1)OCCOC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(C(=O)O)N=NC1=C(C=C(C=C1)OCCOC)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O7/c1-8(17)12(13(18)19)15-14-10-4-3-9(23-6-5-22-2)7-11(10)16(20)21/h3-4,7,12H,5-6H2,1-2H3,(H,18,19)