2-[3-(2-chloroethylsulfanyl)propanoylamino]-3,5-dinitro-benzoic acid

Systemtic Name: 2-[3-(2-chloroethylsulfanyl)propanoylamino]-3,5-dinitro-benzoic acid Openeye Name: 2-[3-(2-chloroethylsulfanyl)propanoylamino]-3,5-dinitro-benzoic acid CAS Name: 2-[[3-(2-chloroethylthio)-1-oxopropyl]amino]-3,5-dinitrobenzoic acid IUPAC Name: 2-[3-(2-chloroethylsulfanyl)propanoylamino]-3,5-dinitrobenzoic acid Traditional Name: 2-[3-(2-chloroethylthio)propanoylamino]-3,5-dinitro-benzoic acid Formula: C12H12ClN3O7S MolecularWeight: 377.75758

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])NC(=O)CCSCCCl)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])NC(=O)CCSCCCl)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H12ClN3O7S/c13-2-4-24-3-1-10(17)14-11-8(12(18)19)5-7(15(20)21)6-9(11)16(22)23/h5-6H,1-4H2,(H,14,17)(H,18,19)