7-(imidazol-1-ylmethyl)-3-methoxy-6-nitro-quinoxaline-2-carboxylate

Systemtic Name: 7-(imidazol-1-ylmethyl)-3-methoxy-6-nitro-quinoxaline-2-carboxylate Openeye Name: 7-(imidazol-1-ylmethyl)-3-methoxy-6-nitro-quinoxaline-2-carboxylate CAS Name: 7-(1-imidazolylmethyl)-3-methoxy-6-nitro-2-quinoxalinecarboxylate IUPAC Name: 7-(imidazol-1-ylmethyl)-3-methoxy-6-nitroquinoxaline-2-carboxylate Traditional Name: 7-(imidazol-1-ylmethyl)-3-methoxy-6-nitro-quinoxaline-2-carboxylate Formula: C14H10N5O5- MolecularWeight: 328.2597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=C(C=C(C(=C2)[N+](=O)[O-])CN3C=CN=C3)N=C1C(=O)[O-]

Isomeric SMILES

COC1=NC2=C(C=C(C(=C2)[N+](=O)[O-])CN3C=CN=C3)N=C1C(=O)[O-]

InChI

InChI=1S/C14H11N5O5/c1-24-13-12(14(20)21)16-9-4-8(6-18-3-2-15-7-18)11(19(22)23)5-10(9)17-13/h2-5,7H,6H2,1H3,(H,20,21)/p-1