4-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylamino]-3-nitro-benzamide

Systemtic Name: 4-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylamino]-3-nitro-benzamide Openeye Name: 4-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylamino]-3-nitro-benzamide CAS Name: 4-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethylamino]-3-nitrobenzamide IUPAC Name: 4-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethylamino]-3-nitrobenzamide Traditional Name: 4-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylamino]-3-nitro-benzamide Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)CCNC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)CCNC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3/c1-14-12-16(15(2)24(14)18-6-4-3-5-7-18)10-11-23-19-9-8-17(21(22)26)13-20(19)25(27)28/h3-9,12-13,23H,10-11H2,1-2H3,(H2,22,26)