(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-methyl-3-nitro-benzoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-methyl-3-nitro-benzoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C20H17NO6 MolecularWeight: 367.35208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H17NO6/c1-11-4-5-14(8-17(11)21(24)25)20(23)26-10-15-9-19(22)27-18-7-13(3)12(2)6-16(15)18/h4-9H,10H2,1-3H3