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

Systemtic Name: N-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-5-nitro-furan-2-carboxamide Openeye Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-5-nitro-furan-2-carboxamide CAS Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-5-nitro-2-furancarboxamide IUPAC Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-5-nitrofuran-2-carboxamide Traditional Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-5-nitro-2-furamide Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O5/c1-10(20)18-7-6-11-2-3-13(8-12(11)9-18)17-16(21)14-4-5-15(24-14)19(22)23/h2-5,8H,6-7,9H2,1H3,(H,17,21)