(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(dimethylamino)-5-nitro-benzoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O6/c1-4-13-5-7-16-14(10-20(24)29-19(16)9-13)12-28-21(25)17-11-15(23(26)27)6-8-18(17)22(2)3/h5-11H,4,12H2,1-3H3