3-[(4-chloranyl-2-nitro-phenyl)methyl-(2-methoxy-2-oxidanylidene-ethyl)amino]pyrrolidine-1-carboxylic acid

Systemtic Name: 3-[(4-chloranyl-2-nitro-phenyl)methyl-(2-methoxy-2-oxidanylidene-ethyl)amino]pyrrolidine-1-carboxylic acid Openeye Name: 3-[(4-chloro-2-nitro-phenyl)methyl-(2-methoxy-2-oxo-ethyl)amino]pyrrolidine-1-carboxylic acid CAS Name: 3-[(4-chloro-2-nitrophenyl)methyl-(2-methoxy-2-oxoethyl)amino]-1-pyrrolidinecarboxylic acid IUPAC Name: 3-[(4-chloro-2-nitrophenyl)methyl-(2-methoxy-2-oxoethyl)amino]pyrrolidine-1-carboxylic acid Traditional Name: 3-[(4-chloro-2-nitro-benzyl)-(2-keto-2-methoxy-ethyl)amino]pyrrolidine-1-carboxylic acid Formula: C15H18ClN3O6 MolecularWeight: 371.77292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(CC1=C(C=C(C=C1)Cl)[N+](=O)[O-])C2CCN(C2)C(=O)O

Isomeric SMILES

COC(=O)CN(CC1=C(C=C(C=C1)Cl)[N+](=O)[O-])C2CCN(C2)C(=O)O

InChI

InChI=1S/C15H18ClN3O6/c1-25-14(20)9-18(12-4-5-17(8-12)15(21)22)7-10-2-3-11(16)6-13(10)19(23)24/h2-3,6,12H,4-5,7-9H2,1H3,(H,21,22)