(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C21H18N2O9 MolecularWeight: 442.37562

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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[N+](=O)[O-])OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O9/c1-11(24)22-13-4-5-14-12(6-20(25)32-17(14)7-13)10-31-21(26)15-8-18(29-2)19(30-3)9-16(15)23(27)28/h4-9H,10H2,1-3H3,(H,22,24)