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

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C19H15BrN2O6 MolecularWeight: 447.2362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrN2O6/c1-21(2)15-6-3-11(7-16(15)22(25)26)19(24)27-10-12-8-18(23)28-17-9-13(20)4-5-14(12)17/h3-9H,10H2,1-2H3