methyl (E)-4-[6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]but-2-enoate

Systemtic Name: methyl (E)-4-[6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]but-2-enoate Openeye Name: methyl (E)-4-(6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)but-2-enoate CAS Name: (E)-4-(6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)but-2-enoate Traditional Name: (E)-4-(2,3-diketo-6-nitro-4H-quinoxalin-1-yl)but-2-enoic acid methyl ester Formula: C13H11N3O6 MolecularWeight: 305.24294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCN1C2=C(C=C(C=C2)[N+](=O)[O-])NC(=O)C1=O

Isomeric SMILES

COC(=O)/C=C/CN1C2=C(C=C(C=C2)[N+](=O)[O-])NC(=O)C1=O

InChI

InChI=1S/C13H11N3O6/c1-22-11(17)3-2-6-15-10-5-4-8(16(20)21)7-9(10)14-12(18)13(15)19/h2-5,7H,6H2,1H3,(H,14,18)/b3-2+