5-[2-chloranyl-4-(1-hydroxyethyl)-5-nitro-phenoxy]-N,N-bis(phenylmethyl)pentanamide

Systemtic Name: 5-[2-chloranyl-4-(1-hydroxyethyl)-5-nitro-phenoxy]-N,N-bis(phenylmethyl)pentanamide Openeye Name: N,N-dibenzyl-5-[2-chloro-4-(1-hydroxyethyl)-5-nitro-phenoxy]pentanamide CAS Name: 5-[2-chloro-4-(1-hydroxyethyl)-5-nitrophenoxy]-N,N-bis(phenylmethyl)pentanamide IUPAC Name: N,N-dibenzyl-5-[2-chloro-4-(1-hydroxyethyl)-5-nitrophenoxy]pentanamide Traditional Name: N,N-dibenzyl-5-[2-chloro-4-(1-hydroxyethyl)-5-nitro-phenoxy]valeramide Formula: C27H29ClN2O5 MolecularWeight: 496.98256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)Cl)O

Isomeric SMILES

CC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)Cl)O

InChI

InChI=1S/C27H29ClN2O5/c1-20(31)23-16-24(28)26(17-25(23)30(33)34)35-15-9-8-14-27(32)29(18-21-10-4-2-5-11-21)19-22-12-6-3-7-13-22/h2-7,10-13,16-17,20,31H,8-9,14-15,18-19H2,1H3