N-[4-(3,4-dihydro-1H-isochromen-1-ylmethylcarbamoyl)phenyl]-2-nitro-benzamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isochromen-1-ylmethylcarbamoyl)phenyl]-2-nitro-benzamide Openeye Name: N-[4-(isochroman-1-ylmethylcarbamoyl)phenyl]-2-nitro-benzamide CAS Name: N-[4-[(3,4-dihydro-1H-2-benzopyran-1-ylmethylamino)-oxomethyl]phenyl]-2-nitrobenzamide IUPAC Name: N-[4-(3,4-dihydro-1H-isochromen-1-ylmethylcarbamoyl)phenyl]-2-nitrobenzamide Traditional Name: N-[4-(isochroman-1-ylmethylcarbamoyl)phenyl]-2-nitro-benzamide Formula: C24H21N3O5 MolecularWeight: 431.44064

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CNC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1COC(C2=CC=CC=C21)CNC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O5/c28-23(25-15-22-19-6-2-1-5-16(19)13-14-32-22)17-9-11-18(12-10-17)26-24(29)20-7-3-4-8-21(20)27(30)31/h1-12,22H,13-15H2,(H,25,28)(H,26,29)