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

Systemtic Name: (3S)-3-methyl-N-(4-methyl-3-nitro-phenyl)-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: (3S)-3-methyl-N-(4-methyl-3-nitro-phenyl)-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-3-methyl-N-(4-methyl-3-nitrophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-3-methyl-N-(4-methyl-3-nitrophenyl)-1-oxo-4H-isochromene-3-carboxamide Traditional Name: (3S)-1-keto-3-methyl-N-(4-methyl-3-nitro-phenyl)isochroman-3-carboxamide Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@@]2(CC3=CC=CC=C3C(=O)O2)C)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O5/c1-11-7-8-13(9-15(11)20(23)24)19-17(22)18(2)10-12-5-3-4-6-14(12)16(21)25-18/h3-9H,10H2,1-2H3,(H,19,22)/t18-/m0/s1