(4-nitrophenyl)methyl quinoxaline-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl quinoxaline-2-carboxylate Openeye Name: (4-nitrophenyl)methyl quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-carboxylic acid (4-nitrobenzyl) ester Formula: C16H11N3O4 MolecularWeight: 309.27624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(=N2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O4/c20-16(15-9-17-13-3-1-2-4-14(13)18-15)23-10-11-5-7-12(8-6-11)19(21)22/h1-9H,10H2