2-[tert-butyl-[(4-phenylmethoxyphenyl)methyl]amino]-3-nitro-1-phenyl-propan-1-one hydrochloride

Systemtic Name: 2-[tert-butyl-[(4-phenylmethoxyphenyl)methyl]amino]-3-nitro-1-phenyl-propan-1-one hydrochloride Openeye Name: 2-[(4-benzyloxyphenyl)methyl-tert-butyl-amino]-3-nitro-1-phenyl-propan-1-one hydrochloride CAS Name: 2-[tert-butyl-[(4-phenylmethoxyphenyl)methyl]amino]-3-nitro-1-phenyl-1-propanone hydrochloride IUPAC Name: 2-[tert-butyl-[(4-phenylmethoxyphenyl)methyl]amino]-3-nitro-1-phenylpropan-1-one hydrochloride Traditional Name: 2-[(4-benzoxybenzyl)-tert-butyl-amino]-3-nitro-1-phenyl-propan-1-one hydrochloride Formula: C27H31ClN2O4 MolecularWeight: 482.99904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(C[N+](=O)[O-])C(=O)C3=CC=CC=C3.Cl

Isomeric SMILES

CC(C)(C)N(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(C[N+](=O)[O-])C(=O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C27H30N2O4.ClH/c1-27(2,3)28(25(19-29(31)32)26(30)23-12-8-5-9-13-23)18-21-14-16-24(17-15-21)33-20-22-10-6-4-7-11-22;/h4-17,25H,18-20H2,1-3H3;1H