2-[(3-nitrocyclohepta-1,4,6-trien-1-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(3-nitrocyclohepta-1,4,6-trien-1-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(3-nitrocyclohepta-1,4,6-triene-1-carbonyl)amino]acetic acid CAS Name: 2-[[(3-nitro-1-cyclohepta-1,4,6-trienyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(3-nitrocyclohepta-1,4,6-triene-1-carbonyl)amino]acetic acid Traditional Name: 2-[(3-nitrocyclohepta-1,4,6-triene-1-carbonyl)amino]acetic acid Formula: C10H10N2O5 MolecularWeight: 238.1968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C=C(C=C1)C(=O)NCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(C=C(C=C1)C(=O)NCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H10N2O5/c13-9(14)6-11-10(15)7-3-1-2-4-8(5-7)12(16)17/h1-5,8H,6H2,(H,11,15)(H,13,14)