(3R)-2-butyl-3-[(4-nitrophenyl)amino]-4,5,6,7-tetrahydro-3H-isoindol-1-one

Systemtic Name: (3R)-2-butyl-3-[(4-nitrophenyl)amino]-4,5,6,7-tetrahydro-3H-isoindol-1-one Openeye Name: (3R)-2-butyl-3-(4-nitroanilino)-4,5,6,7-tetrahydro-3H-isoindol-1-one CAS Name: (3R)-2-butyl-3-(4-nitroanilino)-4,5,6,7-tetrahydro-3H-isoindol-1-one IUPAC Name: (3R)-2-butyl-3-(4-nitroanilino)-4,5,6,7-tetrahydro-3H-isoindol-1-one Traditional Name: (3R)-2-butyl-3-(4-nitroanilino)-4,5,6,7-tetrahydro-3H-isoindol-1-one Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C2=C(C1=O)CCCC2)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1[C@H](C2=C(C1=O)CCCC2)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O3/c1-2-3-12-20-17(15-6-4-5-7-16(15)18(20)22)19-13-8-10-14(11-9-13)21(23)24/h8-11,17,19H,2-7,12H2,1H3/t17-/m1/s1