(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C22H20N2O9 MolecularWeight: 456.4022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)C)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)C)OC

InChI

InChI=1S/C22H20N2O9/c1-4-31-20-10-17(24(28)29)16(9-19(20)30-3)22(27)32-11-13-7-21(26)33-18-8-14(23-12(2)25)5-6-15(13)18/h5-10H,4,11H2,1-3H3,(H,23,25)