(2-azanyl-2-oxidanylidene-ethyl) 3-nitro-4-phenylsulfanyl-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: (2-amino-2-oxo-ethyl) 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid (2-amino-2-keto-ethyl) ester Formula: C15H12N2O5S MolecularWeight: 332.33118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O5S/c16-14(18)9-22-15(19)10-6-7-13(12(8-10)17(20)21)23-11-4-2-1-3-5-11/h1-8H,9H2,(H2,16,18)