N-[4-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-1,3-thiazol-2-yl]-2-nitro-benzamide

Systemtic Name: N-[4-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-1,3-thiazol-2-yl]-2-nitro-benzamide Openeye Name: N-[4-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]thiazol-2-yl]-2-nitro-benzamide CAS Name: N-[4-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-thiazolyl]-2-nitrobenzamide IUPAC Name: N-[4-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-2-nitrobenzamide Traditional Name: N-[4-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]thiazol-2-yl]-2-nitro-benzamide Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C3=CSC(=N3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C3=CSC(=N3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O4S/c1-14-12-19(15(2)26(14)16-8-10-17(31-3)11-9-16)20-13-32-23(24-20)25-22(28)18-6-4-5-7-21(18)27(29)30/h4-13H,1-3H3,(H,24,25,28)