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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-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-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H22N2O7 MolecularWeight: 426.41928

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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-])NCCOC)C

Isomeric SMILES

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

InChI

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