5-(2-chloranyl-4-ethanoyl-5-nitro-phenoxy)-N,N-bis(phenylmethyl)pentanamide

Systemtic Name: 5-(2-chloranyl-4-ethanoyl-5-nitro-phenoxy)-N,N-bis(phenylmethyl)pentanamide Openeye Name: 5-(4-acetyl-2-chloro-5-nitro-phenoxy)-N,N-dibenzyl-pentanamide CAS Name: 5-(4-acetyl-2-chloro-5-nitrophenoxy)-N,N-bis(phenylmethyl)pentanamide IUPAC Name: 5-(4-acetyl-2-chloro-5-nitrophenoxy)-N,N-dibenzylpentanamide Traditional Name: 5-(4-acetyl-2-chloro-5-nitro-phenoxy)-N,N-dibenzyl-valeramide Formula: C27H27ClN2O5 MolecularWeight: 494.96668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27ClN2O5/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/h2-7,10-13,16-17H,8-9,14-15,18-19H2,1H3