tert-butyl N-[2-[5-bromanyl-4-nitro-3-[(phenylmethyl)amino]pyrazol-1-yl]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[5-bromanyl-4-nitro-3-[(phenylmethyl)amino]pyrazol-1-yl]ethyl]carbamate Openeye Name: tert-butyl N-[2-[3-(benzylamino)-5-bromo-4-nitro-pyrazol-1-yl]ethyl]carbamate CAS Name: N-[2-[5-bromo-4-nitro-3-[(phenylmethyl)amino]-1-pyrazolyl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[3-(benzylamino)-5-bromo-4-nitropyrazol-1-yl]ethyl]carbamate Traditional Name: N-[2-[3-(benzylamino)-5-bromo-4-nitro-pyrazol-1-yl]ethyl]carbamic acid tert-butyl ester Formula: C17H22BrN5O4 MolecularWeight: 440.29168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCN1C(=C(C(=N1)NCC2=CC=CC=C2)[N+](=O)[O-])Br

Isomeric SMILES

CC(C)(C)OC(=O)NCCN1C(=C(C(=N1)NCC2=CC=CC=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C17H22BrN5O4/c1-17(2,3)27-16(24)19-9-10-22-14(18)13(23(25)26)15(21-22)20-11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,19,24)(H,20,21)