4-[1-[(3-azanyl-5-sulfo-phenyl)carbonylamino]ethenylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[1-[(3-azanyl-5-sulfo-phenyl)carbonylamino]ethenylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-[(3-amino-5-sulfo-benzoyl)amino]vinylamino]-4-oxo-butanoic acid CAS Name: 4-[1-[[(3-amino-5-sulfophenyl)-oxomethyl]amino]ethenylamino]-4-oxobutanoic acid IUPAC Name: 4-[1-[(3-amino-5-sulfobenzoyl)amino]ethenylamino]-4-oxobutanoic acid Traditional Name: 4-[1-[(3-amino-5-sulfo-benzoyl)amino]vinylamino]-4-keto-butyric acid Formula: C13H15N3O7S MolecularWeight: 357.3391

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Descriptors Computed from Structure

Canonical SMILES:

C=C(NC(=O)CCC(=O)O)NC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)N

Isomeric SMILES

C=C(NC(=O)CCC(=O)O)NC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)N

InChI

InChI=1S/C13H15N3O7S/c1-7(15-11(17)2-3-12(18)19)16-13(20)8-4-9(14)6-10(5-8)24(21,22)23/h4-6H,1-3,14H2,(H,15,17)(H,16,20)(H,18,19)(H,21,22,23)