2-(2-methylpiperidin-1-yl)ethyl 6-nitro-1,2-benzoxazole-3-carboxylate chloride

Systemtic Name: 2-(2-methylpiperidin-1-yl)ethyl 6-nitro-1,2-benzoxazole-3-carboxylate chloride Openeye Name: 2-(2-methyl-1-piperidyl)ethyl 6-nitro-1,2-benzoxazole-3-carboxylate chloride CAS Name: 6-nitro-1,2-benzoxazole-3-carboxylic acid 2-(2-methyl-1-piperidinyl)ethyl ester chloride IUPAC Name: 2-(2-methylpiperidin-1-yl)ethyl 6-nitro-1,2-benzoxazole-3-carboxylate chloride Traditional Name: 6-nitroindoxazene-3-carboxylic acid 2-(2-methylpiperidino)ethyl ester chloride Formula: C16H19ClN3O5- MolecularWeight: 368.79216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCOC(=O)C2=NOC3=C2C=CC(=C3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC1CCCCN1CCOC(=O)C2=NOC3=C2C=CC(=C3)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C16H19N3O5.ClH/c1-11-4-2-3-7-18(11)8-9-23-16(20)15-13-6-5-12(19(21)22)10-14(13)24-17-15;/h5-6,10-11H,2-4,7-9H2,1H3;1H/p-1