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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=C(C=C(C=C1)N(CCO)CCO)[N+](=O)[O-])O.Cl

Isomeric SMILES

CC(CNC1=C(C=C(C=C1)N(CCO)CCO)[N+](=O)[O-])O.Cl

InChI

InChI=1S/C13H21N3O5.ClH/c1-10(19)9-14-12-3-2-11(8-13(12)16(20)21)15(4-6-17)5-7-18;/h2-3,8,10,14,17-19H,4-7,9H2,1H3;1H