5-[2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]ethanoylamino]benzene-1,3-dicarboxamide

Systemtic Name: 5-[2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]ethanoylamino]benzene-1,3-dicarboxamide Openeye Name: 5-[[2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]acetyl]amino]benzene-1,3-dicarboxamide CAS Name: 5-[[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-1-oxoethyl]amino]benzene-1,3-dicarboxamide IUPAC Name: 5-[[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]amino]benzene-1,3-dicarboxamide Traditional Name: 5-[[2-[(2-chloro-5-nitro-benzyl)-methyl-amino]acetyl]amino]isophthalamide Formula: C18H18ClN5O5 MolecularWeight: 419.81902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N

InChI

InChI=1S/C18H18ClN5O5/c1-23(8-12-7-14(24(28)29)2-3-15(12)19)9-16(25)22-13-5-10(17(20)26)4-11(6-13)18(21)27/h2-7H,8-9H2,1H3,(H2,20,26)(H2,21,27)(H,22,25)