N-(4-chloranyl-2-nitro-phenyl)-6-methyl-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-(4-chloranyl-2-nitro-phenyl)-6-methyl-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-(4-chloro-2-nitro-phenyl)-6-methyl-1-oxo-isochromane-3-carboxamide CAS Name: N-(4-chloro-2-nitrophenyl)-6-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(4-chloro-2-nitrophenyl)-6-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-(4-chloro-2-nitro-phenyl)-1-keto-6-methyl-isochroman-3-carboxamide Formula: C17H13ClN2O5 MolecularWeight: 360.74852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN2O5/c1-9-2-4-12-10(6-9)7-15(25-17(12)22)16(21)19-13-5-3-11(18)8-14(13)20(23)24/h2-6,8,15H,7H2,1H3,(H,19,21)