sodium 2-[[3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]carbonylamino]ethanoate

Systemtic Name: sodium 2-[[3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]carbonylamino]ethanoate Openeye Name: sodium 2-[[3-[bis(2-chloroethyl)amino]-4-methyl-benzoyl]amino]acetate CAS Name: sodium 2-[[[3-[bis(2-chloroethyl)amino]-4-methylphenyl]-oxomethyl]amino]acetate IUPAC Name: sodium 2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]acetate Traditional Name: sodium 2-[[3-[bis(2-chloroethyl)amino]-4-methyl-benzoyl]amino]acetate Formula: C14H17Cl2N2NaO3 MolecularWeight: 355.19215

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)[O-])N(CCCl)CCCl.[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)[O-])N(CCCl)CCCl.[Na+]

InChI

InChI=1S/C14H18Cl2N2O3.Na/c1-10-2-3-11(14(21)17-9-13(19)20)8-12(10)18(6-4-15)7-5-16;/h2-3,8H,4-7,9H2,1H3,(H,17,21)(H,19,20);/q;+1/p-1