4-(3-methanoyl-4-nitro-phenoxy)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanamide

Systemtic Name: 4-(3-methanoyl-4-nitro-phenoxy)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanamide Openeye Name: 4-(3-formyl-4-nitro-phenoxy)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanamide CAS Name: 4-(3-formyl-4-nitrophenoxy)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanamide IUPAC Name: 4-(3-formyl-4-nitrophenoxy)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanamide Traditional Name: 4-(3-formyl-4-nitro-phenoxy)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)butyramide Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC=CC=C21)C(CCOC3=CC(=C(C=C3)[N+](=O)[O-])C=O)C(=O)N

Isomeric SMILES

C1CNC(C2=CC=CC=C21)C(CCOC3=CC(=C(C=C3)[N+](=O)[O-])C=O)C(=O)N

InChI

InChI=1S/C20H21N3O5/c21-20(25)17(19-16-4-2-1-3-13(16)7-9-22-19)8-10-28-15-5-6-18(23(26)27)14(11-15)12-24/h1-6,11-12,17,19,22H,7-10H2,(H2,21,25)