methyl (2S)-6-chloranyl-2-(2,4-dinitrophenyl)-3-oxidanylidene-1H-indene-2-carboxylate

Systemtic Name: methyl (2S)-6-chloranyl-2-(2,4-dinitrophenyl)-3-oxidanylidene-1H-indene-2-carboxylate Openeye Name: methyl (2S)-5-chloro-2-(2,4-dinitrophenyl)-1-oxo-indane-2-carboxylate CAS Name: (2S)-6-chloro-2-(2,4-dinitrophenyl)-3-oxo-1H-indene-2-carboxylic acid methyl ester IUPAC Name: methyl (2S)-6-chloro-2-(2,4-dinitrophenyl)-3-oxo-1H-indene-2-carboxylate Traditional Name: (2S)-5-chloro-2-(2,4-dinitrophenyl)-1-keto-indane-2-carboxylic acid methyl ester Formula: C17H11ClN2O7 MolecularWeight: 390.73144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC2=C(C1=O)C=CC(=C2)Cl)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@@]1(CC2=C(C1=O)C=CC(=C2)Cl)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H11ClN2O7/c1-27-16(22)17(8-9-6-10(18)2-4-12(9)15(17)21)13-5-3-11(19(23)24)7-14(13)20(25)26/h2-7H,8H2,1H3/t17-/m0/s1