4-[[2-chloroethyl(nitroso)carbamoyl]amino]-3,5-dimethyl-benzoic acid

Systemtic Name: 4-[[2-chloroethyl(nitroso)carbamoyl]amino]-3,5-dimethyl-benzoic acid Openeye Name: 4-[[2-chloroethyl(nitroso)carbamoyl]amino]-3,5-dimethyl-benzoic acid CAS Name: 4-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]-3,5-dimethylbenzoic acid IUPAC Name: 4-[[2-chloroethyl(nitroso)carbamoyl]amino]-3,5-dimethylbenzoic acid Traditional Name: 4-[[2-chloroethyl(nitroso)carbamoyl]amino]-3,5-dimethyl-benzoic acid Formula: C12H14ClN3O4 MolecularWeight: 299.71026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)N(CCCl)N=O)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)N(CCCl)N=O)C)C(=O)O

InChI

InChI=1S/C12H14ClN3O4/c1-7-5-9(11(17)18)6-8(2)10(7)14-12(19)16(15-20)4-3-13/h5-6H,3-4H2,1-2H3,(H,14,19)(H,17,18)