butanoic acid; 3-nitro-4-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]benzoic acid

Systemtic Name: butanoic acid; 3-nitro-4-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]benzoic acid Openeye Name: butyric acid; 4-[(3-hydroxy-3-oxo-propanoyl)amino]-3-nitro-benzoic acid CAS Name: butanoic acid; 4-[(3-hydroxy-1,3-dioxopropyl)amino]-3-nitrobenzoic acid IUPAC Name: butanoic acid; 4-[(3-hydroxy-3-oxopropanoyl)amino]-3-nitrobenzoic acid Traditional Name: butyric acid; 4-[(3-hydroxy-3-keto-propanoyl)amino]-3-nitro-benzoic acid Formula: C14H16N2O9 MolecularWeight: 356.28484

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)O.C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NC(=O)CC(=O)O

Isomeric SMILES

CCCC(=O)O.C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NC(=O)CC(=O)O

InChI

InChI=1S/C10H8N2O7.C4H8O2/c13-8(4-9(14)15)11-6-2-1-5(10(16)17)3-7(6)12(18)19;1-2-3-4(5)6/h1-3H,4H2,(H,11,13)(H,14,15)(H,16,17);2-3H2,1H3,(H,5,6)