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

Systemtic Name: (E)-4-oxidanylidene-4-(pentan-2-ylamino)but-2-enoic acid Openeye Name: (E)-4-(1-methylbutylamino)-4-oxo-but-2-enoic acid CAS Name: (E)-4-oxo-4-(pentan-2-ylamino)-2-butenoic acid IUPAC Name: (E)-4-oxo-4-(pentan-2-ylamino)but-2-enoic acid Traditional Name: (E)-4-keto-4-(1-methylbutylamino)but-2-enoic acid Formula: C9H15NO3 MolecularWeight: 185.2203

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C=CC(=O)O

Isomeric SMILES

CCCC(C)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C9H15NO3/c1-3-4-7(2)10-8(11)5-6-9(12)13/h5-7H,3-4H2,1-2H3,(H,10,11)(H,12,13)/b6-5+