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

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-chloranyl-4-nitro-benzoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C19H13Cl2NO6 MolecularWeight: 422.21562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C19H13Cl2NO6/c1-2-10-5-17-14(8-15(10)20)11(6-18(23)28-17)9-27-19(24)13-4-3-12(22(25)26)7-16(13)21/h3-8H,2,9H2,1H3