2-azanyl-1-(4-nitrophenyl)ethanone hydrate hydrochloride

Systemtic Name: 2-azanyl-1-(4-nitrophenyl)ethanone hydrate hydrochloride Openeye Name: 2-amino-1-(4-nitrophenyl)ethanone hydrate hydrochloride CAS Name: 2-amino-1-(4-nitrophenyl)ethanone hydrate hydrochloride IUPAC Name: 2-amino-1-(4-nitrophenyl)ethanone hydrate hydrochloride Traditional Name: 2-amino-1-(4-nitrophenyl)ethanone hydrate hydrochloride Formula: C8H11ClN2O4 MolecularWeight: 234.63694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CN)[N+](=O)[O-].O.Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CN)[N+](=O)[O-].O.Cl

InChI

InChI=1S/C8H8N2O3.ClH.H2O/c9-5-8(11)6-1-3-7(4-2-6)10(12)13;;/h1-4H,5,9H2;1H;1H2