4-[bis(2-chloroethyl)amino]-3,5-dinitro-benzoic acid

Systemtic Name: 4-[bis(2-chloroethyl)amino]-3,5-dinitro-benzoic acid Openeye Name: 4-[bis(2-chloroethyl)amino]-3,5-dinitro-benzoic acid CAS Name: 4-[bis(2-chloroethyl)amino]-3,5-dinitrobenzoic acid IUPAC Name: 4-[bis(2-chloroethyl)amino]-3,5-dinitrobenzoic acid Traditional Name: 4-[bis(2-chloroethyl)amino]-3,5-dinitro-benzoic acid Formula: C11H11Cl2N3O6 MolecularWeight: 352.12754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11Cl2N3O6/c12-1-3-14(4-2-13)10-8(15(19)20)5-7(11(17)18)6-9(10)16(21)22/h5-6H,1-4H2,(H,17,18)