methyl (2S)-3-(1H-indol-3-yl)-2-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(6-nitro-2-oxo-chromene-3-carbonyl)amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(6-nitro-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[(6-nitro-2-oxochromene-3-carbonyl)amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[(2-keto-6-nitro-chromene-3-carbonyl)amino]propionic acid methyl ester Formula: C22H17N3O7 MolecularWeight: 435.38628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C22H17N3O7/c1-31-22(28)18(10-13-11-23-17-5-3-2-4-15(13)17)24-20(26)16-9-12-8-14(25(29)30)6-7-19(12)32-21(16)27/h2-9,11,18,23H,10H2,1H3,(H,24,26)/t18-/m0/s1