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

Systemtic Name: N-[(3Z)-3-[1-cyano-2-oxidanylidene-2-[(phenylmethyl)amino]ethylidene]isoindol-1-yl]-3-nitro-benzamide Openeye Name: N-[(3Z)-3-[2-(benzylamino)-1-cyano-2-oxo-ethylidene]isoindol-1-yl]-3-nitro-benzamide CAS Name: N-[(3Z)-3-[1-cyano-2-oxo-2-[(phenylmethyl)amino]ethylidene]-1-isoindolyl]-3-nitrobenzamide IUPAC Name: N-[(3Z)-3-[2-(benzylamino)-1-cyano-2-oxoethylidene]isoindol-1-yl]-3-nitrobenzamide Traditional Name: N-[(3Z)-3-[2-(benzylamino)-1-cyano-2-keto-ethylidene]isoindol-1-yl]-3-nitro-benzamide Formula: C25H17N5O4 MolecularWeight: 451.43358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)/C(=C\2/C3=CC=CC=C3C(=N2)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])/C#N

InChI

InChI=1S/C25H17N5O4/c26-14-21(25(32)27-15-16-7-2-1-3-8-16)22-19-11-4-5-12-20(19)23(28-22)29-24(31)17-9-6-10-18(13-17)30(33)34/h1-13H,15H2,(H,27,32)(H,28,29,31)/b22-21-