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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

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