ethyl (3R)-3-(4-methylphenyl)-3-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]propanoate

Systemtic Name: ethyl (3R)-3-(4-methylphenyl)-3-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]propanoate Openeye Name: ethyl (3R)-3-[(6-nitro-2-oxo-chromene-3-carbonyl)amino]-3-(p-tolyl)propanoate CAS Name: (3R)-3-(4-methylphenyl)-3-[[(6-nitro-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (3R)-3-(4-methylphenyl)-3-[(6-nitro-2-oxochromene-3-carbonyl)amino]propanoate Traditional Name: (3R)-3-[(2-keto-6-nitro-chromene-3-carbonyl)amino]-3-(p-tolyl)propionic acid ethyl ester Formula: C22H20N2O7 MolecularWeight: 424.4034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=C(C=C1)C)NC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CCOC(=O)C[C@H](C1=CC=C(C=C1)C)NC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C22H20N2O7/c1-3-30-20(25)12-18(14-6-4-13(2)5-7-14)23-21(26)17-11-15-10-16(24(28)29)8-9-19(15)31-22(17)27/h4-11,18H,3,12H2,1-2H3,(H,23,26)/t18-/m1/s1