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

Systemtic Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylamino]-5-nitro-benzonitrile CAS Name: 2-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethylamino]-5-nitrobenzonitrile IUPAC Name: 2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethylamino]-5-nitrobenzonitrile Traditional Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylamino]-5-nitro-benzonitrile Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2/c1-15-12-17(16(2)24(15)19-6-4-3-5-7-19)10-11-23-21-9-8-20(25(26)27)13-18(21)14-22/h3-9,12-13,23H,10-11H2,1-2H3