(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(4-nitrophenyl)carbonylamino]propanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

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