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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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