(2-azanyl-5-bromanyl-6-methyl-3-nitro-phenyl)methyl piperidine-1-carboxylate

Systemtic Name: (2-azanyl-5-bromanyl-6-methyl-3-nitro-phenyl)methyl piperidine-1-carboxylate Openeye Name: (2-amino-5-bromo-6-methyl-3-nitro-phenyl)methyl piperidine-1-carboxylate CAS Name: 1-piperidinecarboxylic acid (2-amino-5-bromo-6-methyl-3-nitrophenyl)methyl ester IUPAC Name: (2-amino-5-bromo-6-methyl-3-nitrophenyl)methyl piperidine-1-carboxylate Traditional Name: piperidine-1-carboxylic acid (2-amino-5-bromo-6-methyl-3-nitro-benzyl) ester Formula: C14H18BrN3O4 MolecularWeight: 372.21442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1COC(=O)N2CCCCC2)N)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=C(C(=C1COC(=O)N2CCCCC2)N)[N+](=O)[O-])Br

InChI

InChI=1S/C14H18BrN3O4/c1-9-10(13(16)12(18(20)21)7-11(9)15)8-22-14(19)17-5-3-2-4-6-17/h7H,2-6,8,16H2,1H3