(6-propoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl) 2-chloranyl-4-nitro-benzoate

Systemtic Name: (6-propoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl) 2-chloranyl-4-nitro-benzoate Openeye Name: (6-propoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl) 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid (6-propoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl) ester IUPAC Name: (6-propoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl) 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid (6-propoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl) ester Formula: C22H21ClN2O5 MolecularWeight: 428.86554

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)NC3=C2CC(CC3)OC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCCOC1=CC2=C(C=C1)NC3=C2CC(CC3)OC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H21ClN2O5/c1-2-9-29-14-4-7-20-17(11-14)18-12-15(5-8-21(18)24-20)30-22(26)16-6-3-13(25(27)28)10-19(16)23/h3-4,6-7,10-11,15,24H,2,5,8-9,12H2,1H3