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

Systemtic Name: N-[2-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[4-(2,5-dimethylpyrrol-1-yl)anilino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[4-(2,5-dimethyl-1-pyrrolyl)anilino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[4-(2,5-dimethylpyrrol-1-yl)anilino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[4-(2,5-dimethylpyrrol-1-yl)anilino]-2-keto-ethyl]-3-nitro-benzamide Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4/c1-14-6-7-15(2)24(14)18-10-8-17(9-11-18)23-20(26)13-22-21(27)16-4-3-5-19(12-16)25(28)29/h3-12H,13H2,1-2H3,(H,22,27)(H,23,26)