2-[bis(2-hydroxyethyl)amino]-N-(3-chloranyl-4-methyl-phenyl)-5-nitro-benzamide

Systemtic Name: 2-[bis(2-hydroxyethyl)amino]-N-(3-chloranyl-4-methyl-phenyl)-5-nitro-benzamide Openeye Name: 2-[bis(2-hydroxyethyl)amino]-N-(3-chloro-4-methyl-phenyl)-5-nitro-benzamide CAS Name: 2-[bis(2-hydroxyethyl)amino]-N-(3-chloro-4-methylphenyl)-5-nitrobenzamide IUPAC Name: 2-[bis(2-hydroxyethyl)amino]-N-(3-chloro-4-methylphenyl)-5-nitrobenzamide Traditional Name: 2-[bis(2-hydroxyethyl)amino]-N-(3-chloro-4-methyl-phenyl)-5-nitro-benzamide Formula: C18H20ClN3O5 MolecularWeight: 393.8215

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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