(5-ethoxy-8-nitro-2,3,4,9-tetrahydro-1H-carbazol-3-yl) 4-methylbenzoate

Systemtic Name: (5-ethoxy-8-nitro-2,3,4,9-tetrahydro-1H-carbazol-3-yl) 4-methylbenzoate Openeye Name: (5-ethoxy-8-nitro-2,3,4,9-tetrahydro-1H-carbazol-3-yl) 4-methylbenzoate CAS Name: 4-methylbenzoic acid (5-ethoxy-8-nitro-2,3,4,9-tetrahydro-1H-carbazol-3-yl) ester IUPAC Name: (5-ethoxy-8-nitro-2,3,4,9-tetrahydro-1H-carbazol-3-yl) 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (5-ethoxy-8-nitro-2,3,4,9-tetrahydro-1H-carbazol-3-yl) ester Formula: C22H22N2O5 MolecularWeight: 394.42048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C3=C(CCC(C3)OC(=O)C4=CC=C(C=C4)C)NC2=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C2C3=C(CCC(C3)OC(=O)C4=CC=C(C=C4)C)NC2=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O5/c1-3-28-19-11-10-18(24(26)27)21-20(19)16-12-15(8-9-17(16)23-21)29-22(25)14-6-4-13(2)5-7-14/h4-7,10-11,15,23H,3,8-9,12H2,1-2H3