(E)-N-[4-[(2S)-butan-2-yl]phenyl]-2-cyano-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[4-[(2S)-butan-2-yl]phenyl]-2-cyano-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-[4-[(1S)-1-methylpropyl]phenyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[4-[(2S)-butan-2-yl]phenyl]-2-cyano-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[4-[(2S)-butan-2-yl]phenyl]-2-cyano-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-[4-[(1S)-1-methylpropyl]phenyl]-3-(3-nitrophenyl)acrylamide Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C#N

InChI

InChI=1S/C20H19N3O3/c1-3-14(2)16-7-9-18(10-8-16)22-20(24)17(13-21)11-15-5-4-6-19(12-15)23(25)26/h4-12,14H,3H2,1-2H3,(H,22,24)/b17-11+/t14-/m0/s1