(2-chloranyl-4-nitro-phenyl)methyl 2-oxidanylidenechromene-3-carboxylate

Systemtic Name: (2-chloranyl-4-nitro-phenyl)methyl 2-oxidanylidenechromene-3-carboxylate Openeye Name: (2-chloro-4-nitro-phenyl)methyl 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid (2-chloro-4-nitrophenyl)methyl ester IUPAC Name: (2-chloro-4-nitrophenyl)methyl 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid (2-chloro-4-nitro-benzyl) ester Formula: C17H10ClNO6 MolecularWeight: 359.7174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H10ClNO6/c18-14-8-12(19(22)23)6-5-11(14)9-24-16(20)13-7-10-3-1-2-4-15(10)25-17(13)21/h1-8H,9H2