2-[(2-chloranyl-6-nitro-3-pyrrolidin-1-yl-phenyl)methylamino]ethanoate

Systemtic Name: 2-[(2-chloranyl-6-nitro-3-pyrrolidin-1-yl-phenyl)methylamino]ethanoate Openeye Name: 2-[(2-chloro-6-nitro-3-pyrrolidin-1-yl-phenyl)methylamino]acetate CAS Name: 2-[[2-chloro-6-nitro-3-(1-pyrrolidinyl)phenyl]methylamino]acetate IUPAC Name: 2-[(2-chloro-6-nitro-3-pyrrolidin-1-ylphenyl)methylamino]acetate Traditional Name: 2-[(2-chloro-6-nitro-3-pyrrolidino-benzyl)amino]acetate Formula: C13H15ClN3O4- MolecularWeight: 312.7289

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=C(C=C2)[N+](=O)[O-])CNCC(=O)[O-])Cl

Isomeric SMILES

C1CCN(C1)C2=C(C(=C(C=C2)[N+](=O)[O-])CNCC(=O)[O-])Cl

InChI

InChI=1S/C13H16ClN3O4/c14-13-9(7-15-8-12(18)19)10(17(20)21)3-4-11(13)16-5-1-2-6-16/h3-4,15H,1-2,5-8H2,(H,18,19)/p-1