(3R)-2-butyl-3-[(3-nitrophenyl)amino]-3H-isoindol-1-one

Systemtic Name: (3R)-2-butyl-3-[(3-nitrophenyl)amino]-3H-isoindol-1-one Openeye Name: (3R)-2-butyl-3-(3-nitroanilino)isoindolin-1-one CAS Name: (3R)-2-butyl-3-(3-nitroanilino)-3H-isoindol-1-one IUPAC Name: (3R)-2-butyl-3-(3-nitroanilino)-3H-isoindol-1-one Traditional Name: (3R)-2-butyl-3-(3-nitroanilino)isoindolin-1-one Formula: C18H19N3O3 MolecularWeight: 325.36176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C2=CC=CC=C2C1=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1[C@H](C2=CC=CC=C2C1=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O3/c1-2-3-11-20-17(15-9-4-5-10-16(15)18(20)22)19-13-7-6-8-14(12-13)21(23)24/h4-10,12,17,19H,2-3,11H2,1H3/t17-/m1/s1