[2-methoxy-4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 3-nitrobenzoate

Systemtic Name: [2-methoxy-4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 3-nitrobenzoate Openeye Name: [2-methoxy-4-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-3-keto-3-methoxy-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C18H15NO7 MolecularWeight: 357.3142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OC)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OC)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H15NO7/c1-24-16-10-12(7-9-17(20)25-2)6-8-15(16)26-18(21)13-4-3-5-14(11-13)19(22)23/h3-11H,1-2H3/b9-7+