N-(2-methyl-3-nitro-phenyl)-1,3-bis(oxidanylidene)-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-1,3-bis(oxidanylidene)-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-1,3-dioxo-2-(3-pyridylmethyl)isoindoline-5-carboxamide CAS Name: N-(2-methyl-3-nitrophenyl)-1,3-dioxo-2-(3-pyridinylmethyl)-5-isoindolecarboxamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide Traditional Name: 1,3-diketo-N-(2-methyl-3-nitro-phenyl)-2-(3-pyridylmethyl)isoindoline-5-carboxamide Formula: C22H16N4O5 MolecularWeight: 416.38624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CN=CC=C4

InChI

InChI=1S/C22H16N4O5/c1-13-18(5-2-6-19(13)26(30)31)24-20(27)15-7-8-16-17(10-15)22(29)25(21(16)28)12-14-4-3-9-23-11-14/h2-11H,12H2,1H3,(H,24,27)