methyl (E)-4-oxidanylidene-4-(pentylamino)but-2-enoate

Systemtic Name: methyl (E)-4-oxidanylidene-4-(pentylamino)but-2-enoate Openeye Name: methyl (E)-4-oxo-4-(pentylamino)but-2-enoate CAS Name: (E)-4-oxo-4-(pentylamino)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-oxo-4-(pentylamino)but-2-enoate Traditional Name: (E)-4-(amylamino)-4-keto-but-2-enoic acid methyl ester Formula: C10H17NO3 MolecularWeight: 199.24688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C=CC(=O)OC

Isomeric SMILES

CCCCCNC(=O)/C=C/C(=O)OC

InChI

InChI=1S/C10H17NO3/c1-3-4-5-8-11-9(12)6-7-10(13)14-2/h6-7H,3-5,8H2,1-2H3,(H,11,12)/b7-6+