3-azanylidene-N-(3-chloranyl-4-methyl-phenyl)-4-cyano-1-methylidene-isoindole-2-carboxamide

Systemtic Name: 3-azanylidene-N-(3-chloranyl-4-methyl-phenyl)-4-cyano-1-methylidene-isoindole-2-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-cyano-3-imino-1-methylene-isoindoline-2-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-4-cyano-3-imino-1-methylene-2-isoindolecarboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-cyano-3-imino-1-methylideneisoindole-2-carboxamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-cyano-3-imino-1-methylene-isoindoline-2-carboxamide Formula: C18H13ClN4O MolecularWeight: 336.77502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2C(=C)C3=CC=CC(=C3C2=N)C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2C(=C)C3=CC=CC(=C3C2=N)C#N)Cl

InChI

InChI=1S/C18H13ClN4O/c1-10-6-7-13(8-15(10)19)22-18(24)23-11(2)14-5-3-4-12(9-20)16(14)17(23)21/h3-8,21H,2H2,1H3,(H,22,24)