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

Systemtic Name: bis(2-chloroethyl) 2,5-bis(azanyl)-4-nitro-benzene-1,3-dicarboxylate Openeye Name: bis(2-chloroethyl) 2,5-diamino-4-nitro-benzene-1,3-dicarboxylate CAS Name: 2,5-diamino-4-nitrobenzene-1,3-dicarboxylic acid bis(2-chloroethyl) ester IUPAC Name: bis(2-chloroethyl) 2,5-diamino-4-nitrobenzene-1,3-dicarboxylate Traditional Name: 2,5-diamino-4-nitro-benzene-1,3-dicarboxylic acid bis(2-chloroethyl) ester Formula: C12H13Cl2N3O6 MolecularWeight: 366.15412

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1N)[N+](=O)[O-])C(=O)OCCCl)N)C(=O)OCCCl

Isomeric SMILES

C1=C(C(=C(C(=C1N)[N+](=O)[O-])C(=O)OCCCl)N)C(=O)OCCCl

InChI

InChI=1S/C12H13Cl2N3O6/c13-1-3-22-11(18)6-5-7(15)10(17(20)21)8(9(6)16)12(19)23-4-2-14/h5H,1-4,15-16H2