[(E)-[azanyl-(3-nitrophenyl)methylidene]amino] 2-(phenylmethylsulfanyl)benzoate

Systemtic Name: [(E)-[azanyl-(3-nitrophenyl)methylidene]amino] 2-(phenylmethylsulfanyl)benzoate Openeye Name: [(E)-[amino-(3-nitrophenyl)methylene]amino] 2-benzylsulfanylbenzoate CAS Name: 2-(phenylmethylthio)benzoic acid [(E)-[amino-(3-nitrophenyl)methylidene]amino] ester IUPAC Name: [(E)-[amino-(3-nitrophenyl)methylidene]amino] 2-benzylsulfanylbenzoate Traditional Name: 2-(benzylthio)benzoic acid [(E)-[amino-(3-nitrophenyl)methylene]amino] ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)ON=C(C3=CC(=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)O/N=C(\C3=CC(=CC=C3)[N+](=O)[O-])/N

InChI

InChI=1S/C21H17N3O4S/c22-20(16-9-6-10-17(13-16)24(26)27)23-28-21(25)18-11-4-5-12-19(18)29-14-15-7-2-1-3-8-15/h1-13H,14H2,(H2,22,23)