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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])C

InChI

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