3-[(4-chloranyl-2-nitro-phenyl)methylamino]pyrrolidine-1-carboxylic acid

Systemtic Name: 3-[(4-chloranyl-2-nitro-phenyl)methylamino]pyrrolidine-1-carboxylic acid Openeye Name: 3-[(4-chloro-2-nitro-phenyl)methylamino]pyrrolidine-1-carboxylic acid CAS Name: 3-[(4-chloro-2-nitrophenyl)methylamino]-1-pyrrolidinecarboxylic acid IUPAC Name: 3-[(4-chloro-2-nitrophenyl)methylamino]pyrrolidine-1-carboxylic acid Traditional Name: 3-[(4-chloro-2-nitro-benzyl)amino]pyrrolidine-1-carboxylic acid Formula: C12H14ClN3O4 MolecularWeight: 299.71026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NCC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CN(CC1NCC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H14ClN3O4/c13-9-2-1-8(11(5-9)16(19)20)6-14-10-3-4-15(7-10)12(17)18/h1-2,5,10,14H,3-4,6-7H2,(H,17,18)