carboxy-[(5-nitro-2-pyrrolidin-1-yl-phenyl)methyl]carbamic acid

Systemtic Name: carboxy-[(5-nitro-2-pyrrolidin-1-yl-phenyl)methyl]carbamic acid Openeye Name: carboxy-[(5-nitro-2-pyrrolidin-1-yl-phenyl)methyl]carbamic acid CAS Name: carboxy-[[5-nitro-2-(1-pyrrolidinyl)phenyl]methyl]carbamic acid IUPAC Name: carboxy-[(5-nitro-2-pyrrolidin-1-ylphenyl)methyl]carbamic acid Traditional Name: carboxy-(5-nitro-2-pyrrolidino-benzyl)carbamic acid Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O6/c17-12(18)15(13(19)20)8-9-7-10(16(21)22)3-4-11(9)14-5-1-2-6-14/h3-4,7H,1-2,5-6,8H2,(H,17,18)(H,19,20)