2-[(6-nitro-4-oxidanylidene-1-prop-2-enyl-cinnolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(6-nitro-4-oxidanylidene-1-prop-2-enyl-cinnolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(1-allyl-6-nitro-4-oxo-cinnoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(6-nitro-4-oxo-1-prop-2-enyl-3-cinnolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(6-nitro-4-oxo-1-prop-2-enylcinnoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-allyl-4-keto-6-nitro-cinnoline-3-carbonyl)amino]acetic acid Formula: C14H12N4O6 MolecularWeight: 332.26828

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C(=N1)C(=O)NCC(=O)O

Isomeric SMILES

C=CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C(=N1)C(=O)NCC(=O)O

InChI

InChI=1S/C14H12N4O6/c1-2-5-17-10-4-3-8(18(23)24)6-9(10)13(21)12(16-17)14(22)15-7-11(19)20/h2-4,6H,1,5,7H2,(H,15,22)(H,19,20)