N-[5-(3-nitrophenyl)carbonyl-1,3-bis(oxidanylidene)isoindol-2-yl]pyridine-3-carboxamide

Systemtic Name: N-[5-(3-nitrophenyl)carbonyl-1,3-bis(oxidanylidene)isoindol-2-yl]pyridine-3-carboxamide Openeye Name: N-[5-(3-nitrobenzoyl)-1,3-dioxo-isoindolin-2-yl]pyridine-3-carboxamide CAS Name: N-[5-[(3-nitrophenyl)-oxomethyl]-1,3-dioxo-2-isoindolyl]-3-pyridinecarboxamide IUPAC Name: N-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]pyridine-3-carboxamide Traditional Name: N-[1,3-diketo-5-(3-nitrobenzoyl)isoindolin-2-yl]nicotinamide Formula: C21H12N4O6 MolecularWeight: 416.34318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12N4O6/c26-18(12-3-1-5-15(9-12)25(30)31)13-6-7-16-17(10-13)21(29)24(20(16)28)23-19(27)14-4-2-8-22-11-14/h1-11H,(H,23,27)