ethyl (3aS,8bS)-8b-nitro-2-(phenylmethyl)-3,3a-dihydro-1H-pyrrolo[3,4-b]indole-4-carboxylate

Systemtic Name: ethyl (3aS,8bS)-8b-nitro-2-(phenylmethyl)-3,3a-dihydro-1H-pyrrolo[3,4-b]indole-4-carboxylate Openeye Name: ethyl (3aS,8bS)-2-benzyl-8b-nitro-3,3a-dihydro-1H-pyrrolo[3,4-b]indole-4-carboxylate CAS Name: (3aS,8bS)-8b-nitro-2-(phenylmethyl)-3,3a-dihydro-1H-pyrrolo[3,4-b]indole-4-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS,8bS)-2-benzyl-8b-nitro-3,3a-dihydro-1H-pyrrolo[3,4-b]indole-4-carboxylate Traditional Name: (3aS,8bS)-2-benzyl-8b-nitro-3,3a-dihydro-1H-pyrrol[3,4-b]indole-4-carboxylic acid ethyl ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2CN(CC2(C3=CC=CC=C31)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1[C@H]2CN(C[C@]2(C3=CC=CC=C31)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O4/c1-2-27-19(24)22-17-11-7-6-10-16(17)20(23(25)26)14-21(13-18(20)22)12-15-8-4-3-5-9-15/h3-11,18H,2,12-14H2,1H3/t18-,20+/m0/s1