4-methyl-2-[[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]pentanoic acid Openeye Name: 4-methyl-2-[[(E)-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[(E)-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[(E)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pentanoic acid Traditional Name: 2-[[(E)-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-4-methyl-valeric acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC=C1C=C(C=CC1=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)O)N/C=C/1\C=C(C=CC1=O)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5/c1-8(2)5-11(13(17)18)14-7-9-6-10(15(19)20)3-4-12(9)16/h3-4,6-8,11,14H,5H2,1-2H3,(H,17,18)/b9-7+