3-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-N-(3-cyanothiophen-2-yl)propanamide

Systemtic Name: 3-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: 3-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]-N-(3-cyano-2-thienyl)propanamide CAS Name: 3-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: 3-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: 3-[(2-chloro-5-nitro-benzyl)-methyl-amino]-N-(3-cyano-2-thienyl)propionamide Formula: C16H15ClN4O3S MolecularWeight: 378.8333

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)NC1=C(C=CS1)C#N)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CN(CCC(=O)NC1=C(C=CS1)C#N)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN4O3S/c1-20(10-12-8-13(21(23)24)2-3-14(12)17)6-4-15(22)19-16-11(9-18)5-7-25-16/h2-3,5,7-8H,4,6,10H2,1H3,(H,19,22)