tert-butyl 4-(5-aminocarbonyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-aminocarbonyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(5-carbamoyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)piperidine-1-carboxylate CAS Name: 4-(5-carbamoyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-carbamoyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)piperidine-1-carboxylate Traditional Name: 4-(5-carbamoyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC3=C(C=CC=C3[N+](=N2)[O-])C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC3=C(C=CC=C3[N+](=N2)[O-])C(=O)N

InChI

InChI=1S/C18H23N5O4/c1-18(2,3)27-17(25)22-9-7-11(8-10-22)16-20-14-12(15(19)24)5-4-6-13(14)23(26)21-16/h4-6,11H,7-10H2,1-3H3,(H2,19,24)