(4S)-4-methoxy-N-(3-methyl-4-nitro-phenyl)pyrrolidin-3-amine

Systemtic Name: (4S)-4-methoxy-N-(3-methyl-4-nitro-phenyl)pyrrolidin-3-amine Openeye Name: (4S)-4-methoxy-N-(3-methyl-4-nitro-phenyl)pyrrolidin-3-amine CAS Name: (4S)-4-methoxy-N-(3-methyl-4-nitrophenyl)-3-pyrrolidinamine IUPAC Name: (4S)-4-methoxy-N-(3-methyl-4-nitrophenyl)pyrrolidin-3-amine Traditional Name: [(4S)-4-methoxypyrrolidin-3-yl]-(3-methyl-4-nitro-phenyl)amine Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2CNCC2OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)NC2CNC[C@@H]2OC)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O3/c1-8-5-9(3-4-11(8)15(16)17)14-10-6-13-7-12(10)18-2/h3-5,10,12-14H,6-7H2,1-2H3/t10?,12-/m0/s1