N-(4-chloranyl-2,5-dimethoxy-phenyl)-3,5-dinitro-2-[(4-phenoxyphenyl)amino]benzamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-3,5-dinitro-2-[(4-phenoxyphenyl)amino]benzamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-3,5-dinitro-2-(4-phenoxyanilino)benzamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dinitro-2-(4-phenoxyanilino)benzamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dinitro-2-(4-phenoxyanilino)benzamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-3,5-dinitro-2-(4-phenoxyanilino)benzamide Formula: C27H21ClN4O8 MolecularWeight: 564.93064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC(=CC(=C2NC3=CC=C(C=C3)OC4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-])OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC(=CC(=C2NC3=CC=C(C=C3)OC4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-])OC)Cl

InChI

InChI=1S/C27H21ClN4O8/c1-38-24-15-22(25(39-2)14-21(24)28)30-27(33)20-12-17(31(34)35)13-23(32(36)37)26(20)29-16-8-10-19(11-9-16)40-18-6-4-3-5-7-18/h3-15,29H,1-2H3,(H,30,33)