2-[(4-chloranyl-2-nitro-phenyl)methyl]-3-ethoxy-3-oxidanylidene-propanoic acid

Systemtic Name: 2-[(4-chloranyl-2-nitro-phenyl)methyl]-3-ethoxy-3-oxidanylidene-propanoic acid Openeye Name: 2-[(4-chloro-2-nitro-phenyl)methyl]-3-ethoxy-3-oxo-propanoic acid CAS Name: 2-[(4-chloro-2-nitrophenyl)methyl]-3-ethoxy-3-oxopropanoic acid IUPAC Name: 2-[(4-chloro-2-nitrophenyl)methyl]-3-ethoxy-3-oxopropanoic acid Traditional Name: 2-(4-chloro-2-nitro-benzyl)-3-ethoxy-3-keto-propionic acid Formula: C12H12ClNO6 MolecularWeight: 301.67978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(C=C(C=C1)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOC(=O)C(CC1=C(C=C(C=C1)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H12ClNO6/c1-2-20-12(17)9(11(15)16)5-7-3-4-8(13)6-10(7)14(18)19/h3-4,6,9H,2,5H2,1H3,(H,15,16)