(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-chloranyl-2-nitro-benzoate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-chloranyl-2-nitro-benzoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C18H12ClNO7 MolecularWeight: 389.74338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])O

InChI

InChI=1S/C18H12ClNO7/c1-9-15(21)5-4-12-10(6-16(22)27-17(9)12)8-26-18(23)13-3-2-11(19)7-14(13)20(24)25/h2-7,21H,8H2,1H3