N,N-diethyl-4-nitro-2-[3-(phenylmethyl)-1,3-oxazinan-2-yl]aniline

Systemtic Name: N,N-diethyl-4-nitro-2-[3-(phenylmethyl)-1,3-oxazinan-2-yl]aniline Openeye Name: 2-(3-benzyl-1,3-oxazinan-2-yl)-N,N-diethyl-4-nitro-aniline CAS Name: N,N-diethyl-4-nitro-2-[3-(phenylmethyl)-1,3-oxazinan-2-yl]aniline IUPAC Name: 2-(3-benzyl-1,3-oxazinan-2-yl)-N,N-diethyl-4-nitroaniline Traditional Name: [2-(3-benzyl-1,3-oxazinan-2-yl)-4-nitro-phenyl]-diethyl-amine Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C2N(CCCO2)CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C2N(CCCO2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3/c1-3-22(4-2)20-12-11-18(24(25)26)15-19(20)21-23(13-8-14-27-21)16-17-9-6-5-7-10-17/h5-7,9-12,15,21H,3-4,8,13-14,16H2,1-2H3