N-(3-chloranyl-2-methyl-phenyl)-N'-[(E)-(5-nitrothiophen-2-yl)methylideneamino]butanediamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-N'-[(E)-(5-nitrothiophen-2-yl)methylideneamino]butanediamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-N'-[(E)-(5-nitro-2-thienyl)methyleneamino]butanediamide CAS Name: N-(3-chloro-2-methylphenyl)-N'-[(E)-(5-nitro-2-thiophenyl)methylideneamino]butanediamide IUPAC Name: N-(3-chloro-2-methylphenyl)-N'-[(E)-(5-nitrothiophen-2-yl)methylideneamino]butanediamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-N'-[(E)-(5-nitro-2-thienyl)methyleneamino]succinamide Formula: C16H15ClN4O4S MolecularWeight: 394.8327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NN=CC2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)N/N=C/C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClN4O4S/c1-10-12(17)3-2-4-13(10)19-14(22)6-7-15(23)20-18-9-11-5-8-16(26-11)21(24)25/h2-5,8-9H,6-7H2,1H3,(H,19,22)(H,20,23)/b18-9+