N-[3-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[3-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[3-(2-amino-2-oxo-ethoxy)phenyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[3-(2-amino-2-oxoethoxy)phenyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[3-(2-amino-2-oxoethoxy)phenyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[3-(2-amino-2-keto-ethoxy)phenyl]-4-(methylthio)-3-nitro-benzamide Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)OCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)OCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5S/c1-25-14-6-5-10(7-13(14)19(22)23)16(21)18-11-3-2-4-12(8-11)24-9-15(17)20/h2-8H,9H2,1H3,(H2,17,20)(H,18,21)