2-(3-nitro-4-pyrrolidin-1-yl-phenyl)-3-(phenylmethyl)-1,3-oxazinane

Systemtic Name: 2-(3-nitro-4-pyrrolidin-1-yl-phenyl)-3-(phenylmethyl)-1,3-oxazinane Openeye Name: 3-benzyl-2-(3-nitro-4-pyrrolidin-1-yl-phenyl)-1,3-oxazinane CAS Name: 2-[3-nitro-4-(1-pyrrolidinyl)phenyl]-3-(phenylmethyl)-1,3-oxazinane IUPAC Name: 3-benzyl-2-(3-nitro-4-pyrrolidin-1-ylphenyl)-1,3-oxazinane Traditional Name: 3-benzyl-2-(3-nitro-4-pyrrolidino-phenyl)-1,3-oxazinane Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C3N(CCCO3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C3N(CCCO3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3/c25-24(26)20-15-18(9-10-19(20)22-11-4-5-12-22)21-23(13-6-14-27-21)16-17-7-2-1-3-8-17/h1-3,7-10,15,21H,4-6,11-14,16H2