4-(4-chloranyl-3-nitro-phenyl)-1-oxidanylidene-isochromene-3-carboxylate

Systemtic Name: 4-(4-chloranyl-3-nitro-phenyl)-1-oxidanylidene-isochromene-3-carboxylate Openeye Name: 4-(4-chloro-3-nitro-phenyl)-1-oxo-isochromene-3-carboxylate CAS Name: 4-(4-chloro-3-nitrophenyl)-1-oxo-2-benzopyran-3-carboxylate IUPAC Name: 4-(4-chloro-3-nitrophenyl)-1-oxoisochromene-3-carboxylate Traditional Name: 4-(4-chloro-3-nitro-phenyl)-1-keto-isochromene-3-carboxylate Formula: C16H7ClNO6- MolecularWeight: 344.68288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(OC2=O)C(=O)[O-])C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(OC2=O)C(=O)[O-])C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H8ClNO6/c17-11-6-5-8(7-12(11)18(22)23)13-9-3-1-2-4-10(9)16(21)24-14(13)15(19)20/h1-7H,(H,19,20)/p-1