(3S)-3-[(2-nitrophenyl)amino]-2-[(2R)-4-phenylbutan-2-yl]-3H-isoindol-1-one

Systemtic Name: (3S)-3-[(2-nitrophenyl)amino]-2-[(2R)-4-phenylbutan-2-yl]-3H-isoindol-1-one Openeye Name: (3S)-2-[(1R)-1-methyl-3-phenyl-propyl]-3-(2-nitroanilino)isoindolin-1-one CAS Name: (3S)-3-(2-nitroanilino)-2-[(2R)-4-phenylbutan-2-yl]-3H-isoindol-1-one IUPAC Name: (3S)-3-(2-nitroanilino)-2-[(2R)-4-phenylbutan-2-yl]-3H-isoindol-1-one Traditional Name: (3S)-2-[(1R)-1-methyl-3-phenyl-propyl]-3-(2-nitroanilino)isoindolin-1-one Formula: C24H23N3O3 MolecularWeight: 401.45772

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)N2C(C3=CC=CC=C3C2=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)N2[C@@H](C3=CC=CC=C3C2=O)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O3/c1-17(15-16-18-9-3-2-4-10-18)26-23(19-11-5-6-12-20(19)24(26)28)25-21-13-7-8-14-22(21)27(29)30/h2-14,17,23,25H,15-16H2,1H3/t17-,23+/m1/s1