3-[[4-[bis(2-hydroxyethyl)amino]-2-nitro-phenyl]amino]propan-1-ol hydrochloride

Systemtic Name: 3-[[4-[bis(2-hydroxyethyl)amino]-2-nitro-phenyl]amino]propan-1-ol hydrochloride Openeye Name: 3-[4-[bis(2-hydroxyethyl)amino]-2-nitro-anilino]propan-1-ol hydrochloride CAS Name: 3-[4-[bis(2-hydroxyethyl)amino]-2-nitroanilino]-1-propanol hydrochloride IUPAC Name: 3-[4-[bis(2-hydroxyethyl)amino]-2-nitroanilino]propan-1-ol hydrochloride Traditional Name: 3-[4-[bis(2-hydroxyethyl)amino]-2-nitro-anilino]propan-1-ol hydrochloride Formula: C13H22ClN3O5 MolecularWeight: 335.78388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N(CCO)CCO)[N+](=O)[O-])NCCCO.Cl

Isomeric SMILES

C1=CC(=C(C=C1N(CCO)CCO)[N+](=O)[O-])NCCCO.Cl

InChI

InChI=1S/C13H21N3O5.ClH/c17-7-1-4-14-12-3-2-11(10-13(12)16(20)21)15(5-8-18)6-9-19;/h2-3,10,14,17-19H,1,4-9H2;1H