(3S)-N-(4-nitrophenyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: (3S)-N-(4-nitrophenyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3S)-N-(4-nitrophenyl)-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-N-(4-nitrophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-N-(4-nitrophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3S)-1-keto-N-(4-nitrophenyl)isochroman-3-carboxamide Formula: C16H12N2O5 MolecularWeight: 312.27688

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1[C@H](OC(=O)C2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O5/c19-15(17-11-5-7-12(8-6-11)18(21)22)14-9-10-3-1-2-4-13(10)16(20)23-14/h1-8,14H,9H2,(H,17,19)/t14-/m0/s1