N-[(4-chloranyl-3-nitro-phenyl)methyl]-N-(cyclopropylmethyl)propan-1-amine; ethanedioic acid

Systemtic Name: N-[(4-chloranyl-3-nitro-phenyl)methyl]-N-(cyclopropylmethyl)propan-1-amine; ethanedioic acid Openeye Name: N-[(4-chloro-3-nitro-phenyl)methyl]-N-(cyclopropylmethyl)propan-1-amine; oxalic acid CAS Name: N-[(4-chloro-3-nitrophenyl)methyl]-N-(cyclopropylmethyl)-1-propanamine; oxalic acid IUPAC Name: N-[(4-chloro-3-nitrophenyl)methyl]-N-(cyclopropylmethyl)propan-1-amine; oxalic acid Traditional Name: (4-chloro-3-nitro-benzyl)-(cyclopropylmethyl)-propyl-amine; oxalic acid Formula: C16H21ClN2O6 MolecularWeight: 372.80074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1CC1)CC2=CC(=C(C=C2)Cl)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CCCN(CC1CC1)CC2=CC(=C(C=C2)Cl)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C14H19ClN2O2.C2H2O4/c1-2-7-16(9-11-3-4-11)10-12-5-6-13(15)14(8-12)17(18)19;3-1(4)2(5)6/h5-6,8,11H,2-4,7,9-10H2,1H3;(H,3,4)(H,5,6)