N-[(9bS)-5-oxidanylidene-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl]-4-nitro-benzamide

Systemtic Name: N-[(9bS)-5-oxidanylidene-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl]-4-nitro-benzamide Openeye Name: N-[(9bS)-5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl]-4-nitro-benzamide CAS Name: N-[(9bS)-5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl]-4-nitrobenzamide IUPAC Name: N-[(9bS)-5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl]-4-nitrobenzamide Traditional Name: N-[(9bS)-5-keto-1,2,3,9b-tetrahydropyrrol[2,1-a]isoindol-9-yl]-4-nitro-benzamide Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C3=C(C=CC=C3NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)N2C1

Isomeric SMILES

C1C[C@H]2C3=C(C=CC=C3NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)N2C1

InChI

InChI=1S/C18H15N3O4/c22-17(11-6-8-12(9-7-11)21(24)25)19-14-4-1-3-13-16(14)15-5-2-10-20(15)18(13)23/h1,3-4,6-9,15H,2,5,10H2,(H,19,22)/t15-/m0/s1