4-cyano-N-[(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]-2-fluoranyl-benzamide

Systemtic Name: 4-cyano-N-[(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]-2-fluoranyl-benzamide Openeye Name: 4-cyano-N-[(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methyleneamino]-2-fluoro-benzamide CAS Name: 4-cyano-N-[(E)-[2,5-dimethyl-1-(3-nitrophenyl)-3-pyrrolyl]methylideneamino]-2-fluorobenzamide IUPAC Name: 4-cyano-N-[(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylideneamino]-2-fluorobenzamide Traditional Name: 4-cyano-N-[(E)-[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methyleneamino]-2-fluoro-benzamide Formula: C21H16FN5O3 MolecularWeight: 405.381843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)[N+](=O)[O-])C)C=NNC(=O)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)[N+](=O)[O-])C)/C=N/NC(=O)C3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C21H16FN5O3/c1-13-8-16(14(2)26(13)17-4-3-5-18(10-17)27(29)30)12-24-25-21(28)19-7-6-15(11-23)9-20(19)22/h3-10,12H,1-2H3,(H,25,28)/b24-12+