2-[carboxymethyl-[2-(3-nitrocyclohexa-1,3-dien-1-yl)cyclohexyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[2-(3-nitrocyclohexa-1,3-dien-1-yl)cyclohexyl]amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[2-(3-nitrocyclohexa-1,3-dien-1-yl)cyclohexyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[2-(3-nitro-1-cyclohexa-1,3-dienyl)cyclohexyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[2-(3-nitrocyclohexa-1,3-dien-1-yl)cyclohexyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[2-(3-nitrocyclohexa-1,3-dien-1-yl)cyclohexyl]amino]acetic acid Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=CC(=CCC2)[N+](=O)[O-])N(CC(=O)O)CC(=O)O

Isomeric SMILES

C1CCC(C(C1)C2=CC(=CCC2)[N+](=O)[O-])N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C16H22N2O6/c19-15(20)9-17(10-16(21)22)14-7-2-1-6-13(14)11-4-3-5-12(8-11)18(23)24/h5,8,13-14H,1-4,6-7,9-10H2,(H,19,20)(H,21,22)