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

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C23H24N2O7 MolecularWeight: 440.44586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO)C(C)C

InChI

InChI=1S/C23H24N2O7/c1-13(2)17-11-18-15(9-22(27)32-21(18)8-14(17)3)12-31-23(28)19-10-16(25(29)30)4-5-20(19)24-6-7-26/h4-5,8-11,13,24,26H,6-7,12H2,1-3H3