N1,N3-bis(2-ethyl-6-methyl-phenyl)-5-nitro-benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis(2-ethyl-6-methyl-phenyl)-5-nitro-benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis(2-ethyl-6-methyl-phenyl)-5-nitro-benzene-1,3-dicarboxamide CAS Name: N1,N3-bis(2-ethyl-6-methylphenyl)-5-nitrobenzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis(2-ethyl-6-methylphenyl)-5-nitrobenzene-1,3-dicarboxamide Traditional Name: N,N'-bis(2-ethyl-6-methyl-phenyl)-5-nitro-isophthalamide Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NC3=C(C=CC=C3CC)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)NC3=C(C=CC=C3CC)C)C

InChI

InChI=1S/C26H27N3O4/c1-5-18-11-7-9-16(3)23(18)27-25(30)20-13-21(15-22(14-20)29(32)33)26(31)28-24-17(4)10-8-12-19(24)6-2/h7-15H,5-6H2,1-4H3,(H,27,30)(H,28,31)