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

Systemtic Name: 2-[(E)-5-(3-nitrophenyl)-3-oxidanylidene-pent-4-enoyl]oxyethyl 4-acetamidobenzoate Openeye Name: 2-[(E)-5-(3-nitrophenyl)-3-oxo-pent-4-enoyl]oxyethyl 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic 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-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid 2-[(E)-3-keto-5-(3-nitrophenyl)pent-4-enoyl]oxyethyl ester Formula: C22H20N2O8 MolecularWeight: 440.4028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)OCCOC(=O)CC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)OCCOC(=O)CC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O8/c1-15(25)23-18-8-6-17(7-9-18)22(28)32-12-11-31-21(27)14-20(26)10-5-16-3-2-4-19(13-16)24(29)30/h2-10,13H,11-12,14H2,1H3,(H,23,25)/b10-5+