4-nitro-2-octan-3-yl-benzamide hydrate hydrochloride

Systemtic Name: 4-nitro-2-octan-3-yl-benzamide hydrate hydrochloride Openeye Name: 2-(1-ethylhexyl)-4-nitro-benzamide hydrate hydrochloride CAS Name: 4-nitro-2-octan-3-ylbenzamide hydrate hydrochloride IUPAC Name: 4-nitro-2-octan-3-ylbenzamide hydrate hydrochloride Traditional Name: 2-(1-ethylhexyl)-4-nitro-benzamide hydrate hydrochloride Formula: C15H25ClN2O4 MolecularWeight: 332.823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3.ClH.H2O/c1-3-5-6-7-11(4-2)14-10-12(17(19)20)8-9-13(14)15(16)18;;/h8-11H,3-7H2,1-2H3,(H2,16,18);1H;1H2