4-[bis(2-hydroxyethyl)amino]-N-(3-chloranyl-4-methyl-phenyl)-3-nitro-benzamide

Systemtic Name: 4-[bis(2-hydroxyethyl)amino]-N-(3-chloranyl-4-methyl-phenyl)-3-nitro-benzamide Openeye Name: 4-[bis(2-hydroxyethyl)amino]-N-(3-chloro-4-methyl-phenyl)-3-nitro-benzamide CAS Name: 4-[bis(2-hydroxyethyl)amino]-N-(3-chloro-4-methylphenyl)-3-nitrobenzamide IUPAC Name: 4-[bis(2-hydroxyethyl)amino]-N-(3-chloro-4-methylphenyl)-3-nitrobenzamide Traditional Name: 4-[bis(2-hydroxyethyl)amino]-N-(3-chloro-4-methyl-phenyl)-3-nitro-benzamide Formula: C18H20ClN3O5 MolecularWeight: 393.8215

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N(CCO)CCO)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N(CCO)CCO)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H20ClN3O5/c1-12-2-4-14(11-15(12)19)20-18(25)13-3-5-16(17(10-13)22(26)27)21(6-8-23)7-9-24/h2-5,10-11,23-24H,6-9H2,1H3,(H,20,25)