(E)-3-(4-nitrophenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enamide

Systemtic Name: (E)-3-(4-nitrophenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enamide Openeye Name: (E)-3-(4-nitrophenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enamide CAS Name: (E)-3-(4-nitrophenyl)-N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-propenamide IUPAC Name: (E)-3-(4-nitrophenyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enamide Traditional Name: (E)-3-(4-nitrophenyl)-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)acrylamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4/c1-2-21(26)23-12-11-16-6-7-18(13-17(16)14-23)22-20(25)10-5-15-3-8-19(9-4-15)24(27)28/h3-10,13H,2,11-12,14H2,1H3,(H,22,25)/b10-5+