(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 2-nitrobenzoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 2-nitrobenzoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C17H10BrNO6 MolecularWeight: 404.1684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10BrNO6/c18-11-5-6-12-10(7-16(20)25-15(12)8-11)9-24-17(21)13-3-1-2-4-14(13)19(22)23/h1-8H,9H2