(2-butylimidazol-1-yl)methyl 2-(2-nitrophenyl)indole-1-carboxylate

Systemtic Name: (2-butylimidazol-1-yl)methyl 2-(2-nitrophenyl)indole-1-carboxylate Openeye Name: (2-butylimidazol-1-yl)methyl 2-(2-nitrophenyl)indole-1-carboxylate CAS Name: 2-(2-nitrophenyl)-1-indolecarboxylic acid (2-butyl-1-imidazolyl)methyl ester IUPAC Name: (2-butylimidazol-1-yl)methyl 2-(2-nitrophenyl)indole-1-carboxylate Traditional Name: 2-(2-nitrophenyl)indole-1-carboxylic acid (2-butylimidazol-1-yl)methyl ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=CN1COC(=O)N2C3=CC=CC=C3C=C2C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NC=CN1COC(=O)N2C3=CC=CC=C3C=C2C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O4/c1-2-3-12-22-24-13-14-25(22)16-31-23(28)26-19-10-6-4-8-17(19)15-21(26)18-9-5-7-11-20(18)27(29)30/h4-11,13-15H,2-3,12,16H2,1H3