(E)-3-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-nitrobenzoyl)prop-2-enenitrile CAS Name: (E)-3-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(3-nitrophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-(3-nitrobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(3-nitrobenzoyl)acrylonitrile Formula: C22H16BrN3O3 MolecularWeight: 450.28474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16BrN3O3/c1-14-10-17(15(2)25(14)20-8-6-19(23)7-9-20)11-18(13-24)22(27)16-4-3-5-21(12-16)26(28)29/h3-12H,1-2H3/b18-11+