(E)-5-azanyl-6-[(4-methyl-3-nitro-phenyl)amino]-6-oxidanyl-4-oxidanylidene-hex-5-enoic acid

Systemtic Name: (E)-5-azanyl-6-[(4-methyl-3-nitro-phenyl)amino]-6-oxidanyl-4-oxidanylidene-hex-5-enoic acid Openeye Name: (E)-5-amino-6-hydroxy-6-(4-methyl-3-nitro-anilino)-4-oxo-hex-5-enoic acid CAS Name: (E)-5-amino-6-hydroxy-6-(4-methyl-3-nitroanilino)-4-oxo-5-hexenoic acid IUPAC Name: (E)-5-amino-6-hydroxy-6-(4-methyl-3-nitroanilino)-4-oxohex-5-enoic acid Traditional Name: (E)-5-amino-6-hydroxy-4-keto-6-(4-methyl-3-nitro-anilino)hex-5-enoic acid Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=C(C(=O)CCC(=O)O)N)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)N/C(=C(/C(=O)CCC(=O)O)\N)/O)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O6/c1-7-2-3-8(6-9(7)16(21)22)15-13(20)12(14)10(17)4-5-11(18)19/h2-3,6,15,20H,4-5,14H2,1H3,(H,18,19)/b13-12+