(E)-2-(3-nitrophenyl)carbonyl-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(3-nitrophenyl)carbonyl-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-enenitrile Openeye Name: (E)-2-(3-nitrobenzoyl)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-enenitrile CAS Name: (E)-2-[(3-nitrophenyl)-oxomethyl]-3-(1,2,5-trimethyl-3-pyrrolyl)-2-propenenitrile IUPAC Name: (E)-2-(3-nitrobenzoyl)-3-(1,2,5-trimethylpyrrol-3-yl)prop-2-enenitrile Traditional Name: (E)-2-(3-nitrobenzoyl)-3-(1,2,5-trimethylpyrrol-3-yl)acrylonitrile Formula: C17H15N3O3 MolecularWeight: 309.3193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C=C(C#N)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C)C)/C=C(\C#N)/C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O3/c1-11-7-14(12(2)19(11)3)8-15(10-18)17(21)13-5-4-6-16(9-13)20(22)23/h4-9H,1-3H3/b15-8+