3-(diethylamino)propyl 6-nitro-1,2-benzoxazole-3-carboxylate chloride

Systemtic Name: 3-(diethylamino)propyl 6-nitro-1,2-benzoxazole-3-carboxylate chloride Openeye Name: 3-(diethylamino)propyl 6-nitro-1,2-benzoxazole-3-carboxylate chloride CAS Name: 6-nitro-1,2-benzoxazole-3-carboxylic acid 3-(diethylamino)propyl ester chloride IUPAC Name: 3-(diethylamino)propyl 6-nitro-1,2-benzoxazole-3-carboxylate chloride Traditional Name: 6-nitroindoxazene-3-carboxylic acid 3-(diethylamino)propyl ester chloride Formula: C15H19ClN3O5- MolecularWeight: 356.78146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O5.ClH/c1-3-17(4-2)8-5-9-22-15(19)14-12-7-6-11(18(20)21)10-13(12)23-16-14;/h6-7,10H,3-5,8-9H2,1-2H3;1H/p-1