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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[(2-methoxyphenyl)amino]-3,5-dinitro-benzamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-(2-methoxyanilino)-3,5-dinitro-benzamide CAS Name: N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)-3,5-dinitrobenzamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)-3,5-dinitrobenzamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-3,5-dinitro-2-(o-anisidino)benzamide Formula: C21H17ClN4O6 MolecularWeight: 456.83588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2NC3=CC=CC=C3OC)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2NC3=CC=CC=C3OC)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C21H17ClN4O6/c1-12-7-8-13(9-16(12)22)23-21(27)15-10-14(25(28)29)11-18(26(30)31)20(15)24-17-5-3-4-6-19(17)32-2/h3-11,24H,1-2H3,(H,23,27)