4-[1-[(3R)-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]oxy-2-oxidanyl-2-oxidanylidene-ethyl]-3-nitro-benzoic acid

Systemtic Name: 4-[1-[(3R)-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]oxy-2-oxidanyl-2-oxidanylidene-ethyl]-3-nitro-benzoic acid Openeye Name: 4-[1-[(3R)-3-amino-4-hydroxy-4-oxo-butanoyl]oxy-2-hydroxy-2-oxo-ethyl]-3-nitro-benzoic acid CAS Name: 4-[1-[(3R)-3-amino-4-hydroxy-1,4-dioxobutoxy]-2-hydroxy-2-oxoethyl]-3-nitrobenzoic acid IUPAC Name: 4-[1-[(3R)-3-amino-4-hydroxy-4-oxobutanoyl]oxy-2-hydroxy-2-oxoethyl]-3-nitrobenzoic acid Traditional Name: 4-[1-[(3R)-3-amino-4-hydroxy-4-keto-butanoyl]oxy-2-hydroxy-2-keto-ethyl]-3-nitro-benzoic acid Formula: C13H12N2O10 MolecularWeight: 356.24178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(C(=O)O)OC(=O)CC(C(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(C(=O)O)OC(=O)C[C@H](C(=O)O)N

InChI

InChI=1S/C13H12N2O10/c14-7(12(19)20)4-9(16)25-10(13(21)22)6-2-1-5(11(17)18)3-8(6)15(23)24/h1-3,7,10H,4,14H2,(H,17,18)(H,19,20)(H,21,22)/t7-,10?/m1/s1