(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C22H22N2O7 MolecularWeight: 426.41928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)NCCOC)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3)NCCOC)[N+](=O)[O-])C

InChI

InChI=1S/C22H22N2O7/c1-13-4-6-17-16(11-20(25)31-21(17)14(13)2)12-30-22(26)15-5-7-18(23-8-9-29-3)19(10-15)24(27)28/h4-7,10-11,23H,8-9,12H2,1-3H3