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

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 4-bromanyl-3-nitro-benzoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C19H13BrN2O7 MolecularWeight: 461.21972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H13BrN2O7/c1-10(23)21-13-3-4-14-12(7-18(24)29-17(14)8-13)9-28-19(25)11-2-5-15(20)16(6-11)22(26)27/h2-8H,9H2,1H3,(H,21,23)