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

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 4-methoxy-3-nitro-benzoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C18H12BrNO7 MolecularWeight: 434.19438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H12BrNO7/c1-25-15-5-2-10(6-14(15)20(23)24)18(22)26-9-11-7-17(21)27-16-8-12(19)3-4-13(11)16/h2-8H,9H2,1H3