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

Systemtic Name: N-[(3Z)-3-[1-cyano-2-(2-methoxyethylamino)-2-oxidanylidene-ethylidene]isoindol-1-yl]-3-nitro-benzamide Openeye Name: N-[(3Z)-3-[1-cyano-2-(2-methoxyethylamino)-2-oxo-ethylidene]isoindol-1-yl]-3-nitro-benzamide CAS Name: N-[(3Z)-3-[1-cyano-2-(2-methoxyethylamino)-2-oxoethylidene]-1-isoindolyl]-3-nitrobenzamide IUPAC Name: N-[(3Z)-3-[1-cyano-2-(2-methoxyethylamino)-2-oxoethylidene]isoindol-1-yl]-3-nitrobenzamide Traditional Name: N-[(3Z)-3-[1-cyano-2-keto-2-(2-methoxyethylamino)ethylidene]isoindol-1-yl]-3-nitro-benzamide Formula: C21H17N5O5 MolecularWeight: 419.39018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O5/c1-31-10-9-23-21(28)17(12-22)18-15-7-2-3-8-16(15)19(24-18)25-20(27)13-5-4-6-14(11-13)26(29)30/h2-8,11H,9-10H2,1H3,(H,23,28)(H,24,25,27)/b18-17-