ethyl (3R)-3-[(6-bromanyl-2-oxidanylidene-chromen-3-yl)carbonylamino]-3-(3-nitrophenyl)propanoate

Systemtic Name: ethyl (3R)-3-[(6-bromanyl-2-oxidanylidene-chromen-3-yl)carbonylamino]-3-(3-nitrophenyl)propanoate Openeye Name: ethyl (3R)-3-[(6-bromo-2-oxo-chromene-3-carbonyl)amino]-3-(3-nitrophenyl)propanoate CAS Name: (3R)-3-[[(6-bromo-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid ethyl ester IUPAC Name: ethyl (3R)-3-[(6-bromo-2-oxochromene-3-carbonyl)amino]-3-(3-nitrophenyl)propanoate Traditional Name: (3R)-3-[(6-bromo-2-keto-chromene-3-carbonyl)amino]-3-(3-nitrophenyl)propionic acid ethyl ester Formula: C21H17BrN2O7 MolecularWeight: 489.27288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O7/c1-2-30-19(25)11-17(12-4-3-5-15(9-12)24(28)29)23-20(26)16-10-13-8-14(22)6-7-18(13)31-21(16)27/h3-10,17H,2,11H2,1H3,(H,23,26)/t17-/m1/s1