2-chloranyl-N-[2-[(4-methylphenyl)carbamoyl-(4-phenoxyphenyl)amino]ethyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[2-[(4-methylphenyl)carbamoyl-(4-phenoxyphenyl)amino]ethyl]-4-nitro-benzamide Openeye Name: 2-chloro-4-nitro-N-[2-[4-phenoxy-N-(p-tolylcarbamoyl)anilino]ethyl]benzamide CAS Name: 2-chloro-N-[2-(N-[(4-methylanilino)-oxomethyl]-4-phenoxyanilino)ethyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[2-[N-[(4-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]-4-nitrobenzamide Traditional Name: 2-chloro-4-nitro-N-[2-[4-phenoxy-N-(p-tolylcarbamoyl)anilino]ethyl]benzamide Formula: C29H25ClN4O5 MolecularWeight: 544.9856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N(CCNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N(CCNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C29H25ClN4O5/c1-20-7-9-21(10-8-20)32-29(36)33(22-11-14-25(15-12-22)39-24-5-3-2-4-6-24)18-17-31-28(35)26-16-13-23(34(37)38)19-27(26)30/h2-16,19H,17-18H2,1H3,(H,31,35)(H,32,36)