N,N-bis(1-chloroethyl)-4-methyl-2,6-dinitro-aniline

Systemtic Name: N,N-bis(1-chloroethyl)-4-methyl-2,6-dinitro-aniline Openeye Name: N,N-bis(1-chloroethyl)-4-methyl-2,6-dinitro-aniline CAS Name: N,N-bis(1-chloroethyl)-4-methyl-2,6-dinitroaniline IUPAC Name: N,N-bis(1-chloroethyl)-4-methyl-2,6-dinitroaniline Traditional Name: bis(1-chloroethyl)-(4-methyl-2,6-dinitro-phenyl)amine Formula: C11H13Cl2N3O4 MolecularWeight: 322.14462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])N(C(C)Cl)C(C)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])N(C(C)Cl)C(C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H13Cl2N3O4/c1-6-4-9(15(17)18)11(10(5-6)16(19)20)14(7(2)12)8(3)13/h4-5,7-8H,1-3H3