(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 2-[(3-methyl-4-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]acetic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-[(3-methyl-4-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-methyl-4-nitro-benzoyl)amino]acetic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H20N2O7 MolecularWeight: 424.4034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O7/c1-12-7-17-16(9-20(25)31-19(17)8-13(12)2)11-30-21(26)10-23-22(27)15-4-5-18(24(28)29)14(3)6-15/h4-9H,10-11H2,1-3H3,(H,23,27)