N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-(methylamino)-3-nitro-benzamide

Systemtic Name: N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-(methylamino)-3-nitro-benzamide Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3/c1-13-4-5-14(2)23(13)17-9-7-16(8-10-17)22-20(25)15-6-11-18(21-3)19(12-15)24(26)27/h4-12,21H,1-3H3,(H,22,25)