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

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C22H19N3O7 MolecularWeight: 437.40216

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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)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O7/c1-12(26)23-16-5-6-17-14(9-21(27)32-20(17)10-16)11-31-22(28)13-2-7-18(24-15-3-4-15)19(8-13)25(29)30/h2,5-10,15,24H,3-4,11H2,1H3,(H,23,26)