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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[(2,4-dimethylphenyl)amino]-3,5-dinitro-benzamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-(2,4-dimethylanilino)-3,5-dinitro-benzamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-(2,4-dimethylanilino)-3,5-dinitrobenzamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-(2,4-dimethylanilino)-3,5-dinitrobenzamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-(2,4-dimethylanilino)-3,5-dinitro-benzamide Formula: C21H16ClN5O7 MolecularWeight: 485.83404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(C=C(C=C2C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(C=C(C=C2C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C21H16ClN5O7/c1-11-3-5-17(12(2)7-11)23-20-15(8-14(26(31)32)10-19(20)27(33)34)21(28)24-18-6-4-13(25(29)30)9-16(18)22/h3-10,23H,1-2H3,(H,24,28)