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

Systemtic Name: (3S)-N-(4-methyl-2-nitro-phenyl)-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-N-(4-methyl-2-nitro-phenyl)-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: (3S)-N-(4-methyl-2-nitrophenyl)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-N-(4-methyl-2-nitrophenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-1-keto-N-(4-methyl-2-nitro-phenyl)-3-phenyl-isochroman-6-carboxamide Formula: C23H18N2O5 MolecularWeight: 402.39942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)O[C@@H](C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18N2O5/c1-14-7-10-19(20(11-14)25(28)29)24-22(26)16-8-9-18-17(12-16)13-21(30-23(18)27)15-5-3-2-4-6-15/h2-12,21H,13H2,1H3,(H,24,26)/t21-/m0/s1