(E)-4-(heptan-2-ylamino)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(heptan-2-ylamino)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(1-methylhexylamino)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(heptan-2-ylamino)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(heptan-2-ylamino)-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-(1-methylhexylamino)but-2-enoic acid Formula: C11H19NO3 MolecularWeight: 213.27346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C=CC(=O)O

Isomeric SMILES

CCCCCC(C)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C11H19NO3/c1-3-4-5-6-9(2)12-10(13)7-8-11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)/b8-7+