butyl 4-[[2-chloroethyl(nitroso)carbamoyl]amino]benzoate

Systemtic Name: butyl 4-[[2-chloroethyl(nitroso)carbamoyl]amino]benzoate Openeye Name: butyl 4-[[2-chloroethyl(nitroso)carbamoyl]amino]benzoate CAS Name: 4-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-chloroethyl(nitroso)carbamoyl]amino]benzoate Traditional Name: 4-[[2-chloroethyl(nitroso)carbamoyl]amino]benzoic acid butyl ester Formula: C14H18ClN3O4 MolecularWeight: 327.76342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N(CCCl)N=O

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N(CCCl)N=O

InChI

InChI=1S/C14H18ClN3O4/c1-2-3-10-22-13(19)11-4-6-12(7-5-11)16-14(20)18(17-21)9-8-15/h4-7H,2-3,8-10H2,1H3,(H,16,20)