2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]-1-(2,3,4-trinitrophenyl)ethanone

Systemtic Name: 2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]-1-(2,3,4-trinitrophenyl)ethanone Openeye Name: 2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]-1-(2,3,4-trinitrophenyl)ethanone CAS Name: 2-[3-[(1-methyl-2-pyrrolidinyl)methyl]-1H-indol-5-yl]-1-(2,3,4-trinitrophenyl)ethanone IUPAC Name: 2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]-1-(2,3,4-trinitrophenyl)ethanone Traditional Name: 2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]-1-(2,3,4-trinitrophenyl)ethanone Formula: C22H21N5O7 MolecularWeight: 467.43144

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1CC2=CNC3=C2C=C(C=C3)CC(=O)C4=C(C(=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1CCCC1CC2=CNC3=C2C=C(C=C3)CC(=O)C4=C(C(=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O7/c1-24-8-2-3-15(24)11-14-12-23-18-6-4-13(9-17(14)18)10-20(28)16-5-7-19(25(29)30)22(27(33)34)21(16)26(31)32/h4-7,9,12,15,23H,2-3,8,10-11H2,1H3