(3S)-3-methyl-N-(2-nitrophenyl)-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: (3S)-3-methyl-N-(2-nitrophenyl)-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: (3S)-3-methyl-N-(2-nitrophenyl)-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-3-methyl-N-(2-nitrophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-3-methyl-N-(2-nitrophenyl)-1-oxo-4H-isochromene-3-carboxamide Traditional Name: (3S)-1-keto-3-methyl-N-(2-nitrophenyl)isochroman-3-carboxamide Formula: C17H14N2O5 MolecularWeight: 326.30346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O5/c1-17(10-11-6-2-3-7-12(11)15(20)24-17)16(21)18-13-8-4-5-9-14(13)19(22)23/h2-9H,10H2,1H3,(H,18,21)/t17-/m0/s1