[3-[(E)-3-ethoxy-2-oxidanyl-3-oxidanylidene-prop-1-enyl]-2-nitro-phenyl] benzoate

Systemtic Name: [3-[(E)-3-ethoxy-2-oxidanyl-3-oxidanylidene-prop-1-enyl]-2-nitro-phenyl] benzoate Openeye Name: [3-[(E)-3-ethoxy-2-hydroxy-3-oxo-prop-1-enyl]-2-nitro-phenyl] benzoate CAS Name: benzoic acid [3-[(E)-3-ethoxy-2-hydroxy-3-oxoprop-1-enyl]-2-nitrophenyl] ester IUPAC Name: [3-[(E)-3-ethoxy-2-hydroxy-3-oxoprop-1-enyl]-2-nitrophenyl] benzoate Traditional Name: benzoic acid [3-[(E)-3-ethoxy-2-hydroxy-3-keto-prop-1-enyl]-2-nitro-phenyl] ester Formula: C18H15NO7 MolecularWeight: 357.3142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(C(=CC=C1)OC(=O)C2=CC=CC=C2)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO7/c1-2-25-18(22)14(20)11-13-9-6-10-15(16(13)19(23)24)26-17(21)12-7-4-3-5-8-12/h3-11,20H,2H2,1H3/b14-11+