4-[[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]methyl]benzoic acid

Systemtic Name: 4-[[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]methyl]benzoic acid Openeye Name: 4-[[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]methyl]benzoic acid CAS Name: 4-[[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]methyl]benzoic acid IUPAC Name: 4-[[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]methyl]benzoic acid Traditional Name: 4-[[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]methyl]benzoic acid Formula: C17H14N4O6 MolecularWeight: 370.31626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H14N4O6/c22-15-16(23)20-14-11(5-12(21(26)27)6-13(14)19-15)8-18-7-9-1-3-10(4-2-9)17(24)25/h1-6,18H,7-8H2,(H,19,22)(H,20,23)(H,24,25)