N1,N3-bis(4-bromanyl-3-methyl-phenyl)-5-nitro-benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis(4-bromanyl-3-methyl-phenyl)-5-nitro-benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis(4-bromo-3-methyl-phenyl)-5-nitro-benzene-1,3-dicarboxamide CAS Name: N1,N3-bis(4-bromo-3-methylphenyl)-5-nitrobenzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis(4-bromo-3-methylphenyl)-5-nitrobenzene-1,3-dicarboxamide Traditional Name: N,N'-bis(4-bromo-3-methyl-phenyl)-5-nitro-isophthalamide Formula: C22H17Br2N3O4 MolecularWeight: 547.19608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)Br)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)Br)C)Br

InChI

InChI=1S/C22H17Br2N3O4/c1-12-7-16(3-5-19(12)23)25-21(28)14-9-15(11-18(10-14)27(30)31)22(29)26-17-4-6-20(24)13(2)8-17/h3-11H,1-2H3,(H,25,28)(H,26,29)