[(E)-[azanyl-(3-nitrophenyl)methylidene]amino] 3-(phenylmethylsulfanyl)propanoate

Systemtic Name: [(E)-[azanyl-(3-nitrophenyl)methylidene]amino] 3-(phenylmethylsulfanyl)propanoate Openeye Name: [(E)-[amino-(3-nitrophenyl)methylene]amino] 3-benzylsulfanylpropanoate CAS Name: 3-(phenylmethylthio)propanoic acid [(E)-[amino-(3-nitrophenyl)methylidene]amino] ester IUPAC Name: [(E)-[amino-(3-nitrophenyl)methylidene]amino] 3-benzylsulfanylpropanoate Traditional Name: 3-(benzylthio)propionic acid [(E)-[amino-(3-nitrophenyl)methylene]amino] ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC(=O)ON=C(C2=CC(=CC=C2)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CSCCC(=O)O/N=C(\C2=CC(=CC=C2)[N+](=O)[O-])/N

InChI

InChI=1S/C17H17N3O4S/c18-17(14-7-4-8-15(11-14)20(22)23)19-24-16(21)9-10-25-12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H2,18,19)