2-methylidene-4-[(4-sulfophenyl)carbamoylamino]butanoate

Systemtic Name: 2-methylidene-4-[(4-sulfophenyl)carbamoylamino]butanoate Openeye Name: 2-methylene-4-[(4-sulfophenyl)carbamoylamino]butanoate CAS Name: 2-methylene-4-[[oxo-(4-sulfoanilino)methyl]amino]butanoate IUPAC Name: 2-methylidene-4-[(4-sulfophenyl)carbamoylamino]butanoate Traditional Name: 2-[2-[(4-sulfophenyl)carbamoylamino]ethyl]acrylate Formula: C12H13N2O6S- MolecularWeight: 313.30642

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CCNC(=O)NC1=CC=C(C=C1)S(=O)(=O)O)C(=O)[O-]

Isomeric SMILES

C=C(CCNC(=O)NC1=CC=C(C=C1)S(=O)(=O)O)C(=O)[O-]

InChI

InChI=1S/C12H14N2O6S/c1-8(11(15)16)6-7-13-12(17)14-9-2-4-10(5-3-9)21(18,19)20/h2-5H,1,6-7H2,(H,15,16)(H2,13,14,17)(H,18,19,20)/p-1