N-[(4-chloranyl-3-nitro-phenyl)methyl]-1-(4-methylphenyl)methanamine; ethanedioic acid

Systemtic Name: N-[(4-chloranyl-3-nitro-phenyl)methyl]-1-(4-methylphenyl)methanamine; ethanedioic acid Openeye Name: N-[(4-chloro-3-nitro-phenyl)methyl]-1-(p-tolyl)methanamine; oxalic acid CAS Name: N-[(4-chloro-3-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine; oxalic acid IUPAC Name: N-[(4-chloro-3-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine; oxalic acid Traditional Name: (4-chloro-3-nitro-benzyl)-(4-methylbenzyl)amine; oxalic acid Formula: C17H17ClN2O6 MolecularWeight: 380.77968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNCC2=CC(=C(C=C2)Cl)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNCC2=CC(=C(C=C2)Cl)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C15H15ClN2O2.C2H2O4/c1-11-2-4-12(5-3-11)9-17-10-13-6-7-14(16)15(8-13)18(19)20;3-1(4)2(5)6/h2-8,17H,9-10H2,1H3;(H,3,4)(H,5,6)