5-nitro-6-phenylmethoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one hydrochloride

Systemtic Name: 5-nitro-6-phenylmethoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one hydrochloride Openeye Name: 6-benzyloxy-2-(isopropylamino)-5-nitro-tetralin-1-one hydrochloride CAS Name: 5-nitro-6-phenylmethoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one hydrochloride IUPAC Name: 5-nitro-6-phenylmethoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one hydrochloride Traditional Name: 6-benzoxy-2-(isopropylamino)-5-nitro-tetralin-1-one hydrochloride Formula: C20H23ClN2O4 MolecularWeight: 390.86062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1CCC2=C(C1=O)C=CC(=C2[N+](=O)[O-])OCC3=CC=CC=C3.Cl

Isomeric SMILES

CC(C)NC1CCC2=C(C1=O)C=CC(=C2[N+](=O)[O-])OCC3=CC=CC=C3.Cl

InChI

InChI=1S/C20H22N2O4.ClH/c1-13(2)21-17-10-8-15-16(20(17)23)9-11-18(19(15)22(24)25)26-12-14-6-4-3-5-7-14;/h3-7,9,11,13,17,21H,8,10,12H2,1-2H3;1H