methyl 3-[bis(2-chloroethyl)amino]-2,6-dinitro-benzoate

Systemtic Name: methyl 3-[bis(2-chloroethyl)amino]-2,6-dinitro-benzoate Openeye Name: methyl 3-[bis(2-chloroethyl)amino]-2,6-dinitro-benzoate CAS Name: 3-[bis(2-chloroethyl)amino]-2,6-dinitrobenzoic acid methyl ester IUPAC Name: methyl 3-[bis(2-chloroethyl)amino]-2,6-dinitrobenzoate Traditional Name: 3-[bis(2-chloroethyl)amino]-2,6-dinitro-benzoic acid methyl ester Formula: C12H13Cl2N3O6 MolecularWeight: 366.15412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13Cl2N3O6/c1-23-12(18)10-8(16(19)20)2-3-9(11(10)17(21)22)15(6-4-13)7-5-14/h2-3H,4-7H2,1H3