(Z)-4-(octylamino)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-4-(octylamino)-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-4-(octylamino)-4-oxo-but-2-enoic acid CAS Name: (Z)-4-(octylamino)-4-oxo-2-butenoic acid IUPAC Name: (Z)-4-(octylamino)-4-oxobut-2-enoic acid Traditional Name: (Z)-4-keto-4-(octylamino)but-2-enoic acid Formula: C12H21NO3 MolecularWeight: 227.30004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CC(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)/C=C\C(=O)O

InChI

InChI=1S/C12H21NO3/c1-2-3-4-5-6-7-10-13-11(14)8-9-12(15)16/h8-9H,2-7,10H2,1H3,(H,13,14)(H,15,16)/b9-8-