N-[(4E)-4-hydroxyimino-4-thiophen-2-yl-butyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[(4E)-4-hydroxyimino-4-thiophen-2-yl-butyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(4E)-4-hydroxyimino-4-(2-thienyl)butyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[(4E)-4-hydroxyimino-4-thiophen-2-ylbutyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(4E)-4-hydroxyimino-4-thiophen-2-ylbutyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(4E)-4-hydroximino-4-(2-thienyl)butyl]-4-methoxy-3-nitro-benzamide Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCCC(=NO)C2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCC/C(=N\O)/C2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5S/c1-24-14-7-6-11(10-13(14)19(22)23)16(20)17-8-2-4-12(18-21)15-5-3-9-25-15/h3,5-7,9-10,21H,2,4,8H2,1H3,(H,17,20)/b18-12+