N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-nitro-furan-2-carboxamide CAS Name: N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-nitro-2-furancarboxamide IUPAC Name: N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)-5-nitro-2-furamide Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5/c1-11(2)18(23)20-8-7-12-3-4-14(9-13(12)10-20)19-17(22)15-5-6-16(26-15)21(24)25/h3-6,9,11H,7-8,10H2,1-2H3,(H,19,22)