2-chloranyl-N-[2-[(3-methylphenyl)carbamoyl-(4-phenoxyphenyl)amino]ethyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[2-[(3-methylphenyl)carbamoyl-(4-phenoxyphenyl)amino]ethyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[2-[N-(m-tolylcarbamoyl)-4-phenoxy-anilino]ethyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[2-(N-[(3-methylanilino)-oxomethyl]-4-phenoxyanilino)ethyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[2-[N-[(3-methylphenyl)carbamoyl]-4-phenoxyanilino]ethyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[2-[N-(m-tolylcarbamoyl)-4-phenoxy-anilino]ethyl]-4-nitro-benzamide Formula: C29H25ClN4O5 MolecularWeight: 544.9856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=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(=CC=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/c1-20-6-5-7-21(18-20)32-29(36)33(22-10-13-25(14-11-22)39-24-8-3-2-4-9-24)17-16-31-28(35)26-15-12-23(34(37)38)19-27(26)30/h2-15,18-19H,16-17H2,1H3,(H,31,35)(H,32,36)