5-[2-chloroethyl(2-hydroxyethyl)amino]-2,4-dinitro-benzamide

Systemtic Name: 5-[2-chloroethyl(2-hydroxyethyl)amino]-2,4-dinitro-benzamide Openeye Name: 5-[2-chloroethyl(2-hydroxyethyl)amino]-2,4-dinitro-benzamide CAS Name: 5-[2-chloroethyl(2-hydroxyethyl)amino]-2,4-dinitrobenzamide IUPAC Name: 5-[2-chloroethyl(2-hydroxyethyl)amino]-2,4-dinitrobenzamide Traditional Name: 5-[2-chloroethyl(2-hydroxyethyl)amino]-2,4-dinitro-benzamide Formula: C11H13ClN4O6 MolecularWeight: 332.69712

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1N(CCO)CCCl)[N+](=O)[O-])[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1=C(C(=CC(=C1N(CCO)CCCl)[N+](=O)[O-])[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C11H13ClN4O6/c12-1-2-14(3-4-17)9-5-7(11(13)18)8(15(19)20)6-10(9)16(21)22/h5-6,17H,1-4H2,(H2,13,18)