bis(2-chloroethyl) 2,5-bis(azanyl)-3-methyl-6-nitro-benzene-1,4-dicarboxylate

Systemtic Name: bis(2-chloroethyl) 2,5-bis(azanyl)-3-methyl-6-nitro-benzene-1,4-dicarboxylate Openeye Name: bis(2-chloroethyl) 2,5-diamino-3-methyl-6-nitro-benzene-1,4-dicarboxylate CAS Name: 2,5-diamino-3-methyl-6-nitrobenzene-1,4-dicarboxylic acid bis(2-chloroethyl) ester IUPAC Name: bis(2-chloroethyl) 2,5-diamino-3-methyl-6-nitrobenzene-1,4-dicarboxylate Traditional Name: 2,5-diamino-3-methyl-6-nitro-benzene-1,4-dicarboxylic acid bis(2-chloroethyl) ester Formula: C13H15Cl2N3O6 MolecularWeight: 380.1807

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1N)C(=O)OCCCl)[N+](=O)[O-])N)C(=O)OCCCl

Isomeric SMILES

CC1=C(C(=C(C(=C1N)C(=O)OCCCl)[N+](=O)[O-])N)C(=O)OCCCl

InChI

InChI=1S/C13H15Cl2N3O6/c1-6-7(12(19)23-4-2-14)10(17)11(18(21)22)8(9(6)16)13(20)24-5-3-15/h2-5,16-17H2,1H3