(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO)C

InChI

InChI=1S/C21H20N2O7/c1-12-7-16-14(9-20(25)30-19(16)8-13(12)2)11-29-21(26)17-10-15(23(27)28)3-4-18(17)22-5-6-24/h3-4,7-10,22,24H,5-6,11H2,1-2H3