2-[(E)-5-(3-nitrophenyl)-3-oxidanylidene-pent-4-enoyl]oxyethyl 4-chloranylbenzoate

Systemtic Name: 2-[(E)-5-(3-nitrophenyl)-3-oxidanylidene-pent-4-enoyl]oxyethyl 4-chloranylbenzoate Openeye Name: 2-[(E)-5-(3-nitrophenyl)-3-oxo-pent-4-enoyl]oxyethyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic 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 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 2-[(E)-3-keto-5-(3-nitrophenyl)pent-4-enoyl]oxyethyl ester Formula: C20H16ClNO7 MolecularWeight: 417.79654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClNO7/c21-16-7-5-15(6-8-16)20(25)29-11-10-28-19(24)13-18(23)9-4-14-2-1-3-17(12-14)22(26)27/h1-9,12H,10-11,13H2/b9-4+