[1-ethyl-4-[(E)-4-oxidanylbut-1-enyl]pyrrol-2-yl]-(4-nitrophenyl)methanone

Systemtic Name: [1-ethyl-4-[(E)-4-oxidanylbut-1-enyl]pyrrol-2-yl]-(4-nitrophenyl)methanone Openeye Name: [1-ethyl-4-[(E)-4-hydroxybut-1-enyl]pyrrol-2-yl]-(4-nitrophenyl)methanone CAS Name: [1-ethyl-4-[(E)-4-hydroxybut-1-enyl]-2-pyrrolyl]-(4-nitrophenyl)methanone IUPAC Name: [1-ethyl-4-[(E)-4-hydroxybut-1-enyl]pyrrol-2-yl]-(4-nitrophenyl)methanone Traditional Name: [1-ethyl-4-[(E)-4-hydroxybut-1-enyl]pyrrol-2-yl]-(4-nitrophenyl)methanone Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=C1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C=CCCO

Isomeric SMILES

CCN1C=C(C=C1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])/C=C/CCO

InChI

InChI=1S/C17H18N2O4/c1-2-18-12-13(5-3-4-10-20)11-16(18)17(21)14-6-8-15(9-7-14)19(22)23/h3,5-9,11-12,20H,2,4,10H2,1H3/b5-3+