N-[3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethylidene]isoindol-1-yl]-3-nitro-benzamide

Systemtic Name: N-[3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethylidene]isoindol-1-yl]-3-nitro-benzamide Openeye Name: N-[3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxo-ethylidene]isoindol-1-yl]-3-nitro-benzamide CAS Name: N-[3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethylidene]-1-isoindolyl]-3-nitrobenzamide IUPAC Name: N-[3-[1-cyano-2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethylidene]isoindol-1-yl]-3-nitrobenzamide Traditional Name: N-[3-[1-cyano-2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethylidene]isoindol-1-yl]-3-nitro-benzamide Formula: C27H21N5O5 MolecularWeight: 495.48614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)C(=C2C3=CC=CC=C3C(=N2)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C27H21N5O5/c1-37-20-11-9-17(10-12-20)13-14-29-27(34)23(16-28)24-21-7-2-3-8-22(21)25(30-24)31-26(33)18-5-4-6-19(15-18)32(35)36/h2-12,15H,13-14H2,1H3,(H,29,34)(H,30,31,33)