N-(5-nitropyridin-2-yl)-1,3-bis(oxidanylidene)-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide

Systemtic Name: N-(5-nitropyridin-2-yl)-1,3-bis(oxidanylidene)-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide Openeye Name: N-(5-nitro-2-pyridyl)-1,3-dioxo-2-(3-pyridylmethyl)isoindoline-5-carboxamide CAS Name: N-(5-nitro-2-pyridinyl)-1,3-dioxo-2-(3-pyridinylmethyl)-5-isoindolecarboxamide IUPAC Name: N-(5-nitropyridin-2-yl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide Traditional Name: 1,3-diketo-N-(5-nitro-2-pyridyl)-2-(3-pyridylmethyl)isoindoline-5-carboxamide Formula: C20H13N5O5 MolecularWeight: 403.34772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=NC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=NC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H13N5O5/c26-18(23-17-6-4-14(10-22-17)25(29)30)13-3-5-15-16(8-13)20(28)24(19(15)27)11-12-2-1-7-21-9-12/h1-10H,11H2,(H,22,23,26)