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

Systemtic Name: 4-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]phenyl]butanoic acid Openeye Name: 4-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]phenyl]butanoic acid CAS Name: 4-[4-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]phenyl]butanoic acid Traditional Name: 4-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]phenyl]butyric acid Formula: C13H16ClN3O4 MolecularWeight: 313.73684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC(=O)O)NC(=O)N(CCCl)N=O

Isomeric SMILES

C1=CC(=CC=C1CCCC(=O)O)NC(=O)N(CCCl)N=O

InChI

InChI=1S/C13H16ClN3O4/c14-8-9-17(16-21)13(20)15-11-6-4-10(5-7-11)2-1-3-12(18)19/h4-7H,1-3,8-9H2,(H,15,20)(H,18,19)