methyl 4-[bis(2-chloroethyl)amino]-3,5-dinitro-benzoate

Systemtic Name: methyl 4-[bis(2-chloroethyl)amino]-3,5-dinitro-benzoate Openeye Name: methyl 4-[bis(2-chloroethyl)amino]-3,5-dinitro-benzoate CAS Name: 4-[bis(2-chloroethyl)amino]-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 4-[bis(2-chloroethyl)amino]-3,5-dinitrobenzoate Traditional Name: 4-[bis(2-chloroethyl)amino]-3,5-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)8-6-9(16(19)20)11(10(7-8)17(21)22)15(4-2-13)5-3-14/h6-7H,2-5H2,1H3