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methyl 4-[bis(2-chloroethyl)amino]-2,5-dinitro-benzoate

methyl 4-[bis(2-chloroethyl)amino]-2,5-dinitro-benzoate

Systemtic Name:methyl 4-[bis(2-chloroethyl)amino]-2,5-dinitro-benzoate
Openeye Name:methyl 4-[bis(2-chloroethyl)amino]-2,5-dinitro-benzoate
CAS Name:4-[bis(2-chloroethyl)amino]-2,5-dinitrobenzoic acid methyl ester
IUPAC Name:methyl 4-[bis(2-chloroethyl)amino]-2,5-dinitrobenzoate
Traditional Name:4-[bis(2-chloroethyl)amino]-2,5-dinitro-benzoic acid methyl ester
Formula: C12H13Cl2N3O6
MolecularWeight: 366.15412
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1[N+](=O)[O-])N(CCCl)CCCl)[N+](=O)[O-]


Isomeric SMILES

COC(=O)C1=CC(=C(C=C1[N+](=O)[O-])N(CCCl)CCCl)[N+](=O)[O-]


InChI

InChI=1S/C12H13Cl2N3O6/c1-23-12(18)8-6-11(17(21)22)10(7-9(8)16(19)20)15(4-2-13)5-3-14/h6-7H,2-5H2,1H3


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