4-[(2R)-2-aminocarbonylpyrrolidin-1-yl]-3-nitro-benzoate

Systemtic Name: 4-[(2R)-2-aminocarbonylpyrrolidin-1-yl]-3-nitro-benzoate Openeye Name: 4-[(2R)-2-carbamoylpyrrolidin-1-yl]-3-nitro-benzoate CAS Name: 4-[(2R)-2-carbamoyl-1-pyrrolidinyl]-3-nitrobenzoate IUPAC Name: 4-[(2R)-2-carbamoylpyrrolidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(2R)-2-carbamoylpyrrolidino]-3-nitro-benzoate Formula: C12H12N3O5- MolecularWeight: 278.24078

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1C[C@@H](N(C1)C2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C12H13N3O5/c13-11(16)9-2-1-5-14(9)8-4-3-7(12(17)18)6-10(8)15(19)20/h3-4,6,9H,1-2,5H2,(H2,13,16)(H,17,18)/p-1/t9-/m1/s1