(4-nitrophenyl) 2,3,3-trimethyl-4-pentyl-2H-indole-1-carboxylate

Systemtic Name: (4-nitrophenyl) 2,3,3-trimethyl-4-pentyl-2H-indole-1-carboxylate Openeye Name: (4-nitrophenyl) 2,3,3-trimethyl-4-pentyl-indoline-1-carboxylate CAS Name: 2,3,3-trimethyl-4-pentyl-2H-indole-1-carboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2,3,3-trimethyl-4-pentyl-2H-indole-1-carboxylate Traditional Name: 4-amyl-2,3,3-trimethyl-indoline-1-carboxylic acid (4-nitrophenyl) ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C2C(=CC=C1)N(C(C2(C)C)C)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=C2C(=CC=C1)N(C(C2(C)C)C)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H28N2O4/c1-5-6-7-9-17-10-8-11-20-21(17)23(3,4)16(2)24(20)22(26)29-19-14-12-18(13-15-19)25(27)28/h8,10-16H,5-7,9H2,1-4H3