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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O6/c1-2-13-3-7-17-15(11-21(25)30-20(17)9-13)12-29-22(26)14-4-8-18(23-16-5-6-16)19(10-14)24(27)28/h3-4,7-11,16,23H,2,5-6,12H2,1H3