N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N'-(4-nitrophenyl)butanediamide

Systemtic Name: N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N'-(4-nitrophenyl)butanediamide Openeye Name: N-[[(1R)-isochroman-1-yl]methyl]-N'-(4-nitrophenyl)butanediamide CAS Name: N-[[(1R)-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]-N'-(4-nitrophenyl)butanediamide IUPAC Name: N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N'-(4-nitrophenyl)butanediamide Traditional Name: N-[[(1R)-isochroman-1-yl]methyl]-N'-(4-nitrophenyl)succinamide Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CNC(=O)CCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CO[C@H](C2=CC=CC=C21)CNC(=O)CCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c24-19(21-13-18-17-4-2-1-3-14(17)11-12-28-18)9-10-20(25)22-15-5-7-16(8-6-15)23(26)27/h1-8,18H,9-13H2,(H,21,24)(H,22,25)/t18-/m0/s1