(5aS)-8-bromanyl-5a,6,6-trimethyl-2-nitro-12H-indolo[2,1-b][1,3]benzoxazine

Systemtic Name: (5aS)-8-bromanyl-5a,6,6-trimethyl-2-nitro-12H-indolo[2,1-b][1,3]benzoxazine Openeye Name: (5aS)-8-bromo-5a,6,6-trimethyl-2-nitro-12H-indolo[2,1-b][1,3]benzoxazine CAS Name: (5aS)-8-bromo-5a,6,6-trimethyl-2-nitro-12H-indolo[2,1-b][1,3]benzoxazine IUPAC Name: (5aS)-8-bromo-5a,6,6-trimethyl-2-nitro-12H-indolo[2,1-b][1,3]benzoxazine Traditional Name: (5aS)-8-bromo-5a,6,6-trimethyl-2-nitro-12H-indolo[2,1-b][1,3]benzoxazine Formula: C18H17BrN2O3 MolecularWeight: 389.24318

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)Br)N3C1(OC4=C(C3)C=C(C=C4)[N+](=O)[O-])C)C

Isomeric SMILES

C[C@]12C(C3=C(N1CC4=C(O2)C=CC(=C4)[N+](=O)[O-])C=CC(=C3)Br)(C)C

InChI

InChI=1S/C18H17BrN2O3/c1-17(2)14-9-12(19)4-6-15(14)20-10-11-8-13(21(22)23)5-7-16(11)24-18(17,20)3/h4-9H,10H2,1-3H3/t18-/m0/s1