2-[(3-nitro-4-phenylsulfanyl-phenyl)carbonylamino]ethanoate

Systemtic Name: 2-[(3-nitro-4-phenylsulfanyl-phenyl)carbonylamino]ethanoate Openeye Name: 2-[(3-nitro-4-phenylsulfanyl-benzoyl)amino]acetate CAS Name: 2-[[[3-nitro-4-(phenylthio)phenyl]-oxomethyl]amino]acetate IUPAC Name: 2-[(3-nitro-4-phenylsulfanylbenzoyl)amino]acetate Traditional Name: 2-[[3-nitro-4-(phenylthio)benzoyl]amino]acetate Formula: C15H11N2O5S- MolecularWeight: 331.32324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O5S/c18-14(19)9-16-15(20)10-6-7-13(12(8-10)17(21)22)23-11-4-2-1-3-5-11/h1-8H,9H2,(H,16,20)(H,18,19)/p-1