(1-azanyl-1-oxidanylidene-propan-2-yl) 3-nitro-4-phenylsulfanyl-benzoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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