N1,N4-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]-2-nitro-benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]-2-nitro-benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]-2-nitro-terephthalamide CAS Name: N1,N4-bis[4-(1-ethyl-4-pyridin-1-iumyl)phenyl]-2-nitrobenzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]-2-nitrobenzene-1,4-dicarboxamide Traditional Name: N,N'-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]-2-nitro-terephthalamide Formula: C34H31N5O4+2 MolecularWeight: 573.64104

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=CC=[N+](C=C5)CC)[N+](=O)[O-]

Isomeric SMILES

CC[N+]1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=CC=[N+](C=C5)CC)[N+](=O)[O-]

InChI

InChI=1S/C34H29N5O4/c1-3-37-19-15-26(16-20-37)24-5-10-29(11-6-24)35-33(40)28-9-14-31(32(23-28)39(42)43)34(41)36-30-12-7-25(8-13-30)27-17-21-38(4-2)22-18-27/h5-23H,3-4H2,1-2H3/p+2