3-(diethylamino)propyl 4-azanyl-2-nitro-benzoate hydrochloride

Systemtic Name: 3-(diethylamino)propyl 4-azanyl-2-nitro-benzoate hydrochloride Openeye Name: 3-(diethylamino)propyl 4-amino-2-nitro-benzoate hydrochloride CAS Name: 4-amino-2-nitrobenzoic acid 3-(diethylamino)propyl ester hydrochloride IUPAC Name: 3-(diethylamino)propyl 4-amino-2-nitrobenzoate hydrochloride Traditional Name: 4-amino-2-nitro-benzoic acid 3-(diethylamino)propyl ester hydrochloride Formula: C14H22ClN3O4 MolecularWeight: 331.79518

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCOC(=O)C1=C(C=C(C=C1)N)[N+](=O)[O-].Cl

Isomeric SMILES

CCN(CC)CCCOC(=O)C1=C(C=C(C=C1)N)[N+](=O)[O-].Cl

InChI

InChI=1S/C14H21N3O4.ClH/c1-3-16(4-2)8-5-9-21-14(18)12-7-6-11(15)10-13(12)17(19)20;/h6-7,10H,3-5,8-9,15H2,1-2H3;1H