2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 6-(3-nitrophenyl)pyridine-3-carboxylate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 6-(3-nitrophenyl)pyridine-3-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 6-(3-nitrophenyl)pyridine-3-carboxylate CAS Name: 6-(3-nitrophenyl)-3-pyridinecarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 6-(3-nitrophenyl)pyridine-3-carboxylate Traditional Name: 6-(3-nitrophenyl)nicotinic acid 2-phthalimidoethyl ester Formula: C22H15N3O6 MolecularWeight: 417.371

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=CN=C(C=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=CN=C(C=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15N3O6/c26-20-17-6-1-2-7-18(17)21(27)24(20)10-11-31-22(28)15-8-9-19(23-13-15)14-4-3-5-16(12-14)25(29)30/h1-9,12-13H,10-11H2