ethane; [(4-methyl-2,6-dinitro-phenyl)-propyl-amino] 2-chloranylethanoate

Systemtic Name: ethane; [(4-methyl-2,6-dinitro-phenyl)-propyl-amino] 2-chloranylethanoate Openeye Name: ethane; (4-methyl-2,6-dinitro-N-propyl-anilino) 2-chloroacetate CAS Name: 2-chloroacetic acid (4-methyl-2,6-dinitro-N-propylanilino) ester; ethane IUPAC Name: ethane; (4-methyl-2,6-dinitro-N-propylanilino) 2-chloroacetate Traditional Name: 2-chloroacetic acid (4-methyl-2,6-dinitro-N-propyl-anilino) ester; ethane Formula: C14H20ClN3O6 MolecularWeight: 361.7781

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Descriptors Computed from Structure

Canonical SMILES:

CC.CCCN(C1=C(C=C(C=C1[N+](=O)[O-])C)[N+](=O)[O-])OC(=O)CCl

Isomeric SMILES

CC.CCCN(C1=C(C=C(C=C1[N+](=O)[O-])C)[N+](=O)[O-])OC(=O)CCl

InChI

InChI=1S/C12H14ClN3O6.C2H6/c1-3-4-14(22-11(17)7-13)12-9(15(18)19)5-8(2)6-10(12)16(20)21;1-2/h5-6H,3-4,7H2,1-2H3;1-2H3