(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C22H20N2O7 MolecularWeight: 424.4034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H20N2O7/c1-13-3-8-18-16(11-20(26)31-21(18)14(13)2)12-30-19(25)9-10-23-22(27)15-4-6-17(7-5-15)24(28)29/h3-8,11H,9-10,12H2,1-2H3,(H,23,27)