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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-methyl-4-nitro-benzoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C19H14ClNO6 MolecularWeight: 387.77056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClNO6/c1-10-6-17-14(8-15(10)20)13(7-18(22)27-17)9-26-19(23)12-3-4-16(21(24)25)11(2)5-12/h3-8H,9H2,1-2H3