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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-])N(CCCl)CCCl

Isomeric SMILES

C1=CC(=C(C(=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-])N(CCCl)CCCl

InChI

InChI=1S/C11H11Cl2N3O6/c12-3-5-14(6-4-13)8-2-1-7(11(17)18)9(15(19)20)10(8)16(21)22/h1-2H,3-6H2,(H,17,18)