[2-(furan-2-yl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl] 2-nitrobenzoate

Systemtic Name: [2-(furan-2-yl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl] 2-nitrobenzoate Openeye Name: [2-(2-furyl)-6,7-dimethyl-4-oxo-chromen-3-yl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-(2-furanyl)-6,7-dimethyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(furan-2-yl)-6,7-dimethyl-4-oxochromen-3-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-(2-furyl)-4-keto-6,7-dimethyl-chromen-3-yl] ester Formula: C22H15NO7 MolecularWeight: 405.357

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC=CO3)OC(=O)C4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC=CO3)OC(=O)C4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C22H15NO7/c1-12-10-15-18(11-13(12)2)29-20(17-8-5-9-28-17)21(19(15)24)30-22(25)14-6-3-4-7-16(14)23(26)27/h3-11H,1-2H3