(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-(ethylamino)-3-nitro-benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-(ethylamino)-3-nitro-benzoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 4-(ethylamino)-3-nitro-benzoate CAS Name: 4-(ethylamino)-3-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 4-(ethylamino)-3-nitrobenzoate Traditional Name: 4-(ethylamino)-3-nitro-benzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C23H24N2O6 MolecularWeight: 424.44646

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H24N2O6/c1-5-24-19-7-6-15(9-20(19)25(28)29)23(27)30-12-16-10-22(26)31-21-8-14(4)17(13(2)3)11-18(16)21/h6-11,13,24H,5,12H2,1-4H3