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

Systemtic Name: N-[3-[[4-(2,5-dimethylpyrrol-1-yl)phenyl]amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[4-(2,5-dimethylpyrrol-1-yl)anilino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[4-(2,5-dimethyl-1-pyrrolyl)anilino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[4-(2,5-dimethylpyrrol-1-yl)anilino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[4-(2,5-dimethylpyrrol-1-yl)anilino]-3-keto-propyl]-4-nitro-benzamide Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O4/c1-15-3-4-16(2)25(15)19-11-7-18(8-12-19)24-21(27)13-14-23-22(28)17-5-9-20(10-6-17)26(29)30/h3-12H,13-14H2,1-2H3,(H,23,28)(H,24,27)