methyl 3-[4-chloranyl-2-nitro-6-(3-oxidanylpropyl)phenyl]-2-oxidanylidene-propanoate

Systemtic Name: methyl 3-[4-chloranyl-2-nitro-6-(3-oxidanylpropyl)phenyl]-2-oxidanylidene-propanoate Openeye Name: methyl 3-[4-chloro-2-(3-hydroxypropyl)-6-nitro-phenyl]-2-oxo-propanoate CAS Name: 3-[4-chloro-2-(3-hydroxypropyl)-6-nitrophenyl]-2-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[4-chloro-2-(3-hydroxypropyl)-6-nitrophenyl]-2-oxopropanoate Traditional Name: 3-[4-chloro-2-(3-hydroxypropyl)-6-nitro-phenyl]-2-keto-propionic acid methyl ester Formula: C13H14ClNO6 MolecularWeight: 315.70636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)CC1=C(C=C(C=C1CCCO)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(=O)CC1=C(C=C(C=C1CCCO)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H14ClNO6/c1-21-13(18)12(17)7-10-8(3-2-4-16)5-9(14)6-11(10)15(19)20/h5-6,16H,2-4,7H2,1H3