N-[4-[(4-chloranyl-2-methyl-phenyl)carbamoyl]phenyl]-2,4-dinitro-benzamide

Systemtic Name: N-[4-[(4-chloranyl-2-methyl-phenyl)carbamoyl]phenyl]-2,4-dinitro-benzamide Openeye Name: N-[4-[(4-chloro-2-methyl-phenyl)carbamoyl]phenyl]-2,4-dinitro-benzamide CAS Name: N-[4-[(4-chloro-2-methylanilino)-oxomethyl]phenyl]-2,4-dinitrobenzamide IUPAC Name: N-[4-[(4-chloro-2-methylphenyl)carbamoyl]phenyl]-2,4-dinitrobenzamide Traditional Name: N-[4-[(4-chloro-2-methyl-phenyl)carbamoyl]phenyl]-2,4-dinitro-benzamide Formula: C21H15ClN4O6 MolecularWeight: 454.82

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN4O6/c1-12-10-14(22)4-9-18(12)24-20(27)13-2-5-15(6-3-13)23-21(28)17-8-7-16(25(29)30)11-19(17)26(31)32/h2-11H,1H3,(H,23,28)(H,24,27)