methyl-[3-[methyl-[(2-nitrophenyl)methyl]carbamoyl]piperazin-1-yl]borinic acid

Systemtic Name: methyl-[3-[methyl-[(2-nitrophenyl)methyl]carbamoyl]piperazin-1-yl]borinic acid Openeye Name: methyl-[3-[methyl-[(2-nitrophenyl)methyl]carbamoyl]piperazin-1-yl]borinic acid CAS Name: methyl-[3-[[methyl-[(2-nitrophenyl)methyl]amino]-oxomethyl]-1-piperazinyl]borinic acid IUPAC Name: methyl-[3-[methyl-[(2-nitrophenyl)methyl]carbamoyl]piperazin-1-yl]borinic acid Traditional Name: methyl-[3-[methyl-(2-nitrobenzyl)carbamoyl]piperazino]borinic acid Formula: C14H21BN4O4 MolecularWeight: 320.15194

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1CCNC(C1)C(=O)N(C)CC2=CC=CC=C2[N+](=O)[O-])O

Isomeric SMILES

B(C)(N1CCNC(C1)C(=O)N(C)CC2=CC=CC=C2[N+](=O)[O-])O

InChI

InChI=1S/C14H21BN4O4/c1-15(21)18-8-7-16-12(10-18)14(20)17(2)9-11-5-3-4-6-13(11)19(22)23/h3-6,12,16,21H,7-10H2,1-2H3