2-diethylaminoethyl 6-nitro-1,2-benzoxazole-3-carboxylate chloride

Systemtic Name: 2-diethylaminoethyl 6-nitro-1,2-benzoxazole-3-carboxylate chloride Openeye Name: 2-diethylaminoethyl 6-nitro-1,2-benzoxazole-3-carboxylate chloride CAS Name: 6-nitro-1,2-benzoxazole-3-carboxylic acid 2-diethylaminoethyl ester chloride IUPAC Name: 2-diethylaminoethyl 6-nitro-1,2-benzoxazole-3-carboxylate chloride Traditional Name: 6-nitroindoxazene-3-carboxylic acid 2-diethylaminoethyl ester chloride Formula: C14H17ClN3O5- MolecularWeight: 342.75488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=NOC2=C1C=CC(=C2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CCN(CC)CCOC(=O)C1=NOC2=C1C=CC(=C2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C14H17N3O5.ClH/c1-3-16(4-2)7-8-21-14(18)13-11-6-5-10(17(19)20)9-12(11)22-15-13;/h5-6,9H,3-4,7-8H2,1-2H3;1H/p-1