3-[(3-nitro-5-sulfo-phenyl)carbonylamino]propanoic acid

Systemtic Name: 3-[(3-nitro-5-sulfo-phenyl)carbonylamino]propanoic acid Openeye Name: 3-[(3-nitro-5-sulfo-benzoyl)amino]propanoic acid CAS Name: 3-[[(3-nitro-5-sulfophenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(3-nitro-5-sulfobenzoyl)amino]propanoic acid Traditional Name: 3-[(3-nitro-5-sulfo-benzoyl)amino]propionic acid Formula: C10H10N2O8S MolecularWeight: 318.26

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)O)C(=O)NCCC(=O)O

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)O)C(=O)NCCC(=O)O

InChI

InChI=1S/C10H10N2O8S/c13-9(14)1-2-11-10(15)6-3-7(12(16)17)5-8(4-6)21(18,19)20/h3-5H,1-2H2,(H,11,15)(H,13,14)(H,18,19,20)