2-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]phenyl]sulfanylacetic acid CAS Name: 2-[[4-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]phenyl]thio]acetic acid IUPAC Name: 2-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]phenyl]sulfanylacetic acid Traditional Name: 2-[[4-[[2-chloroethyl(nitroso)carbamoyl]amino]phenyl]thio]acetic acid Formula: C11H12ClN3O4S MolecularWeight: 317.74868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)N(CCCl)N=O)SCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)N(CCCl)N=O)SCC(=O)O

InChI

InChI=1S/C11H12ClN3O4S/c12-5-6-15(14-19)11(18)13-8-1-3-9(4-2-8)20-7-10(16)17/h1-4H,5-7H2,(H,13,18)(H,16,17)