2-[4-(chloromethyl)phenyl]-3-(2-nitrocyclohexa-1,5-dien-1-yl)-3-oxidanylidene-propanoic acid

Systemtic Name: 2-[4-(chloromethyl)phenyl]-3-(2-nitrocyclohexa-1,5-dien-1-yl)-3-oxidanylidene-propanoic acid Openeye Name: 2-[4-(chloromethyl)phenyl]-3-(2-nitrocyclohexa-1,5-dien-1-yl)-3-oxo-propanoic acid CAS Name: 2-[4-(chloromethyl)phenyl]-3-(2-nitro-1-cyclohexa-1,5-dienyl)-3-oxopropanoic acid IUPAC Name: 2-[4-(chloromethyl)phenyl]-3-(2-nitrocyclohexa-1,5-dien-1-yl)-3-oxopropanoic acid Traditional Name: 2-[4-(chloromethyl)phenyl]-3-keto-3-(2-nitrocyclohexa-1,5-dien-1-yl)propionic acid Formula: C16H14ClNO5 MolecularWeight: 335.73906

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C=C1)C(=O)C(C2=CC=C(C=C2)CCl)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CC(=C(C=C1)C(=O)C(C2=CC=C(C=C2)CCl)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClNO5/c17-9-10-5-7-11(8-6-10)14(16(20)21)15(19)12-3-1-2-4-13(12)18(22)23/h1,3,5-8,14H,2,4,9H2,(H,20,21)