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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CC3=C(C=CC(=C3)Cl)C(=O)O2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CC3=C(C=CC(=C3)Cl)C(=O)O2)[N+](=O)[O-]

InChI

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