2-[(E)-5-(3-nitrophenyl)-3-oxidanylidene-pent-4-enoyl]oxyethyl 3-chloranyl-4-methyl-benzoate

Systemtic Name: 2-[(E)-5-(3-nitrophenyl)-3-oxidanylidene-pent-4-enoyl]oxyethyl 3-chloranyl-4-methyl-benzoate Openeye Name: 2-[(E)-5-(3-nitrophenyl)-3-oxo-pent-4-enoyl]oxyethyl 3-chloro-4-methyl-benzoate CAS Name: 3-chloro-4-methylbenzoic acid 2-[(E)-5-(3-nitrophenyl)-1,3-dioxopent-4-enoxy]ethyl ester IUPAC Name: 2-[(E)-5-(3-nitrophenyl)-3-oxopent-4-enoyl]oxyethyl 3-chloro-4-methylbenzoate Traditional Name: 3-chloro-4-methyl-benzoic acid 2-[(E)-3-keto-5-(3-nitrophenyl)pent-4-enoyl]oxyethyl ester Formula: C21H18ClNO7 MolecularWeight: 431.82312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCCOC(=O)CC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCCOC(=O)CC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H18ClNO7/c1-14-5-7-16(12-19(14)22)21(26)30-10-9-29-20(25)13-18(24)8-6-15-3-2-4-17(11-15)23(27)28/h2-8,11-12H,9-10,13H2,1H3/b8-6+