N-[(E)-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-4-nitro-benzamide

Systemtic Name: N-[(E)-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-4-nitro-benzamide Openeye Name: N-[(E)-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-4-nitro-benzamide CAS Name: N-[(E)-[1-(4-iodophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-4-nitrobenzamide IUPAC Name: N-[(E)-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-4-nitrobenzamide Traditional Name: N-[(E)-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-4-nitro-benzamide Formula: C20H17IN4O3 MolecularWeight: 488.27845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)C=NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)/C=N/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17IN4O3/c1-13-11-16(14(2)24(13)18-9-5-17(21)6-10-18)12-22-23-20(26)15-3-7-19(8-4-15)25(27)28/h3-12H,1-2H3,(H,23,26)/b22-12+