N-[(3Z)-3-[1-cyano-2-(3-methylbutylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-3-nitro-benzamide

Systemtic Name: N-[(3Z)-3-[1-cyano-2-(3-methylbutylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-3-nitro-benzamide Openeye Name: N-[(3Z)-3-[1-cyano-2-(isopentylamino)-2-oxo-ethylidene]isoindol-1-yl]-3-nitro-benzamide CAS Name: N-[(3Z)-3-[1-cyano-2-(3-methylbutylamino)-2-oxoethylidene]-1-isoindolyl]-3-nitrobenzamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-(3-methylbutylamino)-2-oxoethylidene]isoindol-1-yl]-3-nitrobenzamide Traditional Name: N-[(3Z)-3-[1-cyano-2-(isoamylamino)-2-keto-ethylidene]isoindol-1-yl]-3-nitro-benzamide Formula: C23H21N5O4 MolecularWeight: 431.44394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(=C1C2=CC=CC=C2C(=N1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)CCNC(=O)/C(=C\1/C2=CC=CC=C2C(=N1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])/C#N

InChI

InChI=1S/C23H21N5O4/c1-14(2)10-11-25-23(30)19(13-24)20-17-8-3-4-9-18(17)21(26-20)27-22(29)15-6-5-7-16(12-15)28(31)32/h3-9,12,14H,10-11H2,1-2H3,(H,25,30)(H,26,27,29)/b20-19-