3-[[7-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[7-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]methyl]benzoic acid Openeye Name: 3-[(7-nitro-2,3-dioxo-4H-quinoxalin-1-yl)methyl]benzoic acid CAS Name: 3-[(7-nitro-2,3-dioxo-4H-quinoxalin-1-yl)methyl]benzoic acid IUPAC Name: 3-[(7-nitro-2,3-dioxo-4H-quinoxalin-1-yl)methyl]benzoic acid Traditional Name: 3-[(2,3-diketo-7-nitro-4H-quinoxalin-1-yl)methyl]benzoic acid Formula: C16H11N3O6 MolecularWeight: 341.27504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])NC(=O)C2=O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])NC(=O)C2=O)C(=O)O

InChI

InChI=1S/C16H11N3O6/c20-14-15(21)18(8-9-2-1-3-10(6-9)16(22)23)13-7-11(19(24)25)4-5-12(13)17-14/h1-7H,8H2,(H,17,20)(H,22,23)