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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-bromanyl-3-nitro-benzoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-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 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C18H11BrClNO6 MolecularWeight: 452.64004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11BrClNO6/c1-9-4-16-12(7-14(9)20)11(6-17(22)27-16)8-26-18(23)10-2-3-13(19)15(5-10)21(24)25/h2-7H,8H2,1H3