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

Systemtic Name: 3-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]cyclohexane-1-carboxylic acid Openeye Name: 3-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]cyclohexanecarboxylic acid CAS Name: 3-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 3-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]cyclohexane-1-carboxylic acid Traditional Name: 3-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]cyclohexanecarboxylic acid Formula: C16H18N4O6 MolecularWeight: 362.33732

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)NCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(CC(C1)NCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H18N4O6/c21-14-15(22)19-13-9(5-11(20(25)26)6-12(13)18-14)7-17-10-3-1-2-8(4-10)16(23)24/h5-6,8,10,17H,1-4,7H2,(H,18,21)(H,19,22)(H,23,24)