[(E)-6-methoxy-3,6-bis(oxidanylidene)hex-4-enyl] 4-nitrobenzoate

Systemtic Name: [(E)-6-methoxy-3,6-bis(oxidanylidene)hex-4-enyl] 4-nitrobenzoate Openeye Name: [(E)-6-methoxy-3,6-dioxo-hex-4-enyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(E)-6-methoxy-3,6-dioxohex-4-enyl] ester IUPAC Name: [(E)-6-methoxy-3,6-dioxohex-4-enyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(E)-3,6-diketo-6-methoxy-hex-4-enyl] ester Formula: C14H13NO7 MolecularWeight: 307.25552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)/C=C/C(=O)CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO7/c1-21-13(17)7-6-12(16)8-9-22-14(18)10-2-4-11(5-3-10)15(19)20/h2-7H,8-9H2,1H3/b7-6+