(2-ethoxy-4-methanoyl-6-prop-2-enyl-phenyl) 3-nitrobenzoate

Systemtic Name: (2-ethoxy-4-methanoyl-6-prop-2-enyl-phenyl) 3-nitrobenzoate Openeye Name: (2-allyl-6-ethoxy-4-formyl-phenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (2-ethoxy-4-formyl-6-prop-2-enylphenyl) ester IUPAC Name: (2-ethoxy-4-formyl-6-prop-2-enylphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2-allyl-6-ethoxy-4-formyl-phenyl) ester Formula: C19H17NO6 MolecularWeight: 355.34138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC=C)C=O

Isomeric SMILES

CCOC1=CC(=CC(=C1OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC=C)C=O

InChI

InChI=1S/C19H17NO6/c1-3-6-14-9-13(12-21)10-17(25-4-2)18(14)26-19(22)15-7-5-8-16(11-15)20(23)24/h3,5,7-12H,1,4,6H2,2H3