(E)-2-cyano-N-(3-methoxypropyl)-3-[1-(4-nitrophenyl)pyrrol-2-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(3-methoxypropyl)-3-[1-(4-nitrophenyl)pyrrol-2-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(3-methoxypropyl)-3-[1-(4-nitrophenyl)pyrrol-2-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-(3-methoxypropyl)-3-[1-(4-nitrophenyl)-2-pyrrolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(3-methoxypropyl)-3-[1-(4-nitrophenyl)pyrrol-2-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-(3-methoxypropyl)-3-[1-(4-nitrophenyl)pyrrol-2-yl]acrylamide Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C(=CC1=CC=CN1C2=CC=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

COCCCNC(=O)/C(=C/C1=CC=CN1C2=CC=C(C=C2)[N+](=O)[O-])/C#N

InChI

InChI=1S/C18H18N4O4/c1-26-11-3-9-20-18(23)14(13-19)12-17-4-2-10-21(17)15-5-7-16(8-6-15)22(24)25/h2,4-8,10,12H,3,9,11H2,1H3,(H,20,23)/b14-12+