(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-chloranyl-5-nitro-benzoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-chloranyl-5-nitro-benzoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-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 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C18H11Cl2NO6 MolecularWeight: 408.18904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C18H11Cl2NO6/c1-9-4-16-12(7-15(9)20)10(5-17(22)27-16)8-26-18(23)13-6-11(21(24)25)2-3-14(13)19/h2-7H,8H2,1H3