(2-chloranyl-4-nitro-phenyl) 1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate Openeye Name: (2-chloro-4-nitro-phenyl) 1-oxoisochromane-3-carboxylate CAS Name: 1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 1-oxo-3,4-dihydroisochromene-3-carboxylate Traditional Name: 1-ketoisochroman-3-carboxylic acid (2-chloro-4-nitro-phenyl) ester Formula: C16H10ClNO6 MolecularWeight: 347.7067

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1C(OC(=O)C2=CC=CC=C21)C(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H10ClNO6/c17-12-8-10(18(21)22)5-6-13(12)23-16(20)14-7-9-3-1-2-4-11(9)15(19)24-14/h1-6,8,14H,7H2