4-azanyl-1-(3-carboxyphenyl)carbonyl-pyrrolidine-2,4-dicarboxylic acid

Systemtic Name: 4-azanyl-1-(3-carboxyphenyl)carbonyl-pyrrolidine-2,4-dicarboxylic acid Openeye Name: 4-amino-1-(3-carboxybenzoyl)pyrrolidine-2,4-dicarboxylic acid CAS Name: 4-amino-1-[(3-carboxyphenyl)-oxomethyl]pyrrolidine-2,4-dicarboxylic acid IUPAC Name: 4-amino-1-(3-carboxybenzoyl)pyrrolidine-2,4-dicarboxylic acid Traditional Name: 4-amino-1-(3-carboxybenzoyl)pyrrolidine-2,4-dicarboxylic acid Formula: C14H14N2O7 MolecularWeight: 322.27016

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC1(C(=O)O)N)C(=O)C2=CC(=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1C(N(CC1(C(=O)O)N)C(=O)C2=CC(=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C14H14N2O7/c15-14(13(22)23)5-9(12(20)21)16(6-14)10(17)7-2-1-3-8(4-7)11(18)19/h1-4,9H,5-6,15H2,(H,18,19)(H,20,21)(H,22,23)