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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-(4-chlorophenyl)sulfanyl-3-nitro-benzoate Openeye Name: (2-amino-2-oxo-ethyl) 4-(4-chlorophenyl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-chlorophenyl)thio]-3-nitrobenzoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 4-(4-chlorophenyl)sulfanyl-3-nitrobenzoate Traditional Name: 4-[(4-chlorophenyl)thio]-3-nitro-benzoic acid (2-amino-2-keto-ethyl) ester Formula: C15H11ClN2O5S MolecularWeight: 366.77624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=C(C=C(C=C2)C(=O)OCC(=O)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1SC2=C(C=C(C=C2)C(=O)OCC(=O)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H11ClN2O5S/c16-10-2-4-11(5-3-10)24-13-6-1-9(7-12(13)18(21)22)15(20)23-8-14(17)19/h1-7H,8H2,(H2,17,19)