2-diethylaminoethyl 2-nitro-4-(oxidanylamino)benzoate hydrochloride

Systemtic Name: 2-diethylaminoethyl 2-nitro-4-(oxidanylamino)benzoate hydrochloride Openeye Name: 2-diethylaminoethyl 4-(hydroxyamino)-2-nitro-benzoate hydrochloride CAS Name: 4-(hydroxyamino)-2-nitrobenzoic acid 2-diethylaminoethyl ester hydrochloride IUPAC Name: 2-diethylaminoethyl 4-(hydroxyamino)-2-nitrobenzoate hydrochloride Traditional Name: 4-(hydroxyamino)-2-nitro-benzoic acid 2-diethylaminoethyl ester hydrochloride Formula: C13H20ClN3O5 MolecularWeight: 333.768

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=C(C=C(C=C1)NO)[N+](=O)[O-].Cl

Isomeric SMILES

CCN(CC)CCOC(=O)C1=C(C=C(C=C1)NO)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H19N3O5.ClH/c1-3-15(4-2)7-8-21-13(17)11-6-5-10(14-18)9-12(11)16(19)20;/h5-6,9,14,18H,3-4,7-8H2,1-2H3;1H