(3S)-N-(4-chloranyl-3-nitro-phenyl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@]1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN2O5/c1-17(9-10-4-2-3-5-12(10)15(21)25-17)16(22)19-11-6-7-13(18)14(8-11)20(23)24/h2-8H,9H2,1H3,(H,19,22)/t17-/m0/s1