(2-azanyl-2-oxidanylidene-ethyl) 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate Openeye Name: (2-amino-2-oxo-ethyl) 3-nitro-4-(p-tolylsulfanyl)benzoate CAS Name: 4-[(4-methylphenyl)thio]-3-nitrobenzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-(4-methylphenyl)sulfanyl-3-nitrobenzoate Traditional Name: 3-nitro-4-(p-tolylthio)benzoic acid (2-amino-2-keto-ethyl) ester Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O5S/c1-10-2-5-12(6-3-10)24-14-7-4-11(8-13(14)18(21)22)16(20)23-9-15(17)19/h2-8H,9H2,1H3,(H2,17,19)