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

Systemtic Name: 3,5-bis[[2-chloroethyl(nitroso)carbamoyl]amino]benzoic acid Openeye Name: 3,5-bis[[2-chloroethyl(nitroso)carbamoyl]amino]benzoic acid CAS Name: 3,5-bis[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3,5-bis[[2-chloroethyl(nitroso)carbamoyl]amino]benzoic acid Traditional Name: 3,5-bis[[2-chloroethyl(nitroso)carbamoyl]amino]benzoic acid Formula: C13H14Cl2N6O6 MolecularWeight: 421.19286

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1NC(=O)N(CCCl)N=O)NC(=O)N(CCCl)N=O)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1NC(=O)N(CCCl)N=O)NC(=O)N(CCCl)N=O)C(=O)O

InChI

InChI=1S/C13H14Cl2N6O6/c14-1-3-20(18-26)12(24)16-9-5-8(11(22)23)6-10(7-9)17-13(25)21(19-27)4-2-15/h5-7H,1-4H2,(H,16,24)(H,17,25)(H,22,23)