(4-nitrophenyl)methyl N-[1-[4-(4-nitroimidazol-1-yl)-3-phenyl-butyl]piperidin-4-yl]-N-prop-2-enyl-carbamate

Systemtic Name: (4-nitrophenyl)methyl N-[1-[4-(4-nitroimidazol-1-yl)-3-phenyl-butyl]piperidin-4-yl]-N-prop-2-enyl-carbamate Openeye Name: (4-nitrophenyl)methyl N-allyl-N-[1-[4-(4-nitroimidazol-1-yl)-3-phenyl-butyl]-4-piperidyl]carbamate CAS Name: N-[1-[4-(4-nitro-1-imidazolyl)-3-phenylbutyl]-4-piperidinyl]-N-prop-2-enylcarbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[1-[4-(4-nitroimidazol-1-yl)-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate Traditional Name: N-allyl-N-[1-[4-(4-nitroimidazol-1-yl)-3-phenyl-butyl]-4-piperidyl]carbamic acid (4-nitrobenzyl) ester Formula: C29H34N6O6 MolecularWeight: 562.61686

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1CCN(CC1)CCC(CN2C=C(N=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C=CCN(C1CCN(CC1)CCC(CN2C=C(N=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H34N6O6/c1-2-15-33(29(36)41-21-23-8-10-27(11-9-23)34(37)38)26-13-17-31(18-14-26)16-12-25(24-6-4-3-5-7-24)19-32-20-28(30-22-32)35(39)40/h2-11,20,22,25-26H,1,12-19,21H2