N-(4-iodanyl-2-methyl-phenyl)-N'-[(E)-(5-nitrothiophen-2-yl)methylideneamino]butanediamide

Systemtic Name: N-(4-iodanyl-2-methyl-phenyl)-N'-[(E)-(5-nitrothiophen-2-yl)methylideneamino]butanediamide Openeye Name: N-(4-iodo-2-methyl-phenyl)-N'-[(E)-(5-nitro-2-thienyl)methyleneamino]butanediamide CAS Name: N-(4-iodo-2-methylphenyl)-N'-[(E)-(5-nitro-2-thiophenyl)methylideneamino]butanediamide IUPAC Name: N-(4-iodo-2-methylphenyl)-N'-[(E)-(5-nitrothiophen-2-yl)methylideneamino]butanediamide Traditional Name: N-(4-iodo-2-methyl-phenyl)-N'-[(E)-(5-nitro-2-thienyl)methyleneamino]succinamide Formula: C16H15IN4O4S MolecularWeight: 486.28417

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)CCC(=O)NN=CC2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)CCC(=O)N/N=C/C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C16H15IN4O4S/c1-10-8-11(17)2-4-13(10)19-14(22)5-6-15(23)20-18-9-12-3-7-16(26-12)21(24)25/h2-4,7-9H,5-6H2,1H3,(H,19,22)(H,20,23)/b18-9+