methyl 2-(3-nitro-4-oxidanylidene-8-prop-2-enyl-chromen-2-yl)benzoate

Systemtic Name: methyl 2-(3-nitro-4-oxidanylidene-8-prop-2-enyl-chromen-2-yl)benzoate Openeye Name: methyl 2-(8-allyl-3-nitro-4-oxo-chromen-2-yl)benzoate CAS Name: 2-(3-nitro-4-oxo-8-prop-2-enyl-1-benzopyran-2-yl)benzoic acid methyl ester IUPAC Name: methyl 2-(3-nitro-4-oxo-8-prop-2-enylchromen-2-yl)benzoate Traditional Name: 2-(8-allyl-4-keto-3-nitro-chromen-2-yl)benzoic acid methyl ester Formula: C20H15NO6 MolecularWeight: 365.3362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=C(C(=O)C3=C(O2)C(=CC=C3)CC=C)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=C(C(=O)C3=C(O2)C(=CC=C3)CC=C)[N+](=O)[O-]

InChI

InChI=1S/C20H15NO6/c1-3-7-12-8-6-11-15-17(22)16(21(24)25)19(27-18(12)15)13-9-4-5-10-14(13)20(23)26-2/h3-6,8-11H,1,7H2,2H3