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

Systemtic Name: sodium 2-[[3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: sodium 2-[[3-[bis(2-chloroethyl)amino]-4-methyl-benzoyl]amino]-3-hydroxy-propanoate CAS Name: sodium 2-[[[3-[bis(2-chloroethyl)amino]-4-methylphenyl]-oxomethyl]amino]-3-hydroxypropanoate IUPAC Name: sodium 2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]-3-hydroxypropanoate Traditional Name: sodium 2-[[3-[bis(2-chloroethyl)amino]-4-methyl-benzoyl]amino]-3-hydroxy-propionate Formula: C15H19Cl2N2NaO4 MolecularWeight: 385.21813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20Cl2N2O4.Na/c1-10-2-3-11(14(21)18-12(9-20)15(22)23)8-13(10)19(6-4-16)7-5-17;/h2-3,8,12,20H,4-7,9H2,1H3,(H,18,21)(H,22,23);/q;+1/p-1