(E)-2,6-bis(azanyl)-3-chloranyl-5-oxidanylidene-non-3-enoic acid

Systemtic Name: (E)-2,6-bis(azanyl)-3-chloranyl-5-oxidanylidene-non-3-enoic acid Openeye Name: (E)-2,6-diamino-3-chloro-5-oxo-non-3-enoic acid CAS Name: (E)-2,6-diamino-3-chloro-5-oxo-3-nonenoic acid IUPAC Name: (E)-2,6-diamino-3-chloro-5-oxonon-3-enoic acid Traditional Name: (E)-2,6-diamino-3-chloro-5-keto-non-3-enoic acid Formula: C9H15ClN2O3 MolecularWeight: 234.68

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C=C(C(C(=O)O)N)Cl)N

Isomeric SMILES

CCCC(C(=O)/C=C(\C(C(=O)O)N)/Cl)N

InChI

InChI=1S/C9H15ClN2O3/c1-2-3-6(11)7(13)4-5(10)8(12)9(14)15/h4,6,8H,2-3,11-12H2,1H3,(H,14,15)/b5-4+