2-[6-nitro-3-oxidanylidene-8-(piperidin-1-ylmethyl)-2,4-dihydro-1H-quinoxalin-2-yl]ethanoic acid

Systemtic Name: 2-[6-nitro-3-oxidanylidene-8-(piperidin-1-ylmethyl)-2,4-dihydro-1H-quinoxalin-2-yl]ethanoic acid Openeye Name: 2-[6-nitro-3-oxo-8-(1-piperidylmethyl)-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid CAS Name: 2-[6-nitro-3-oxo-8-(1-piperidinylmethyl)-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid IUPAC Name: 2-[6-nitro-3-oxo-8-(piperidin-1-ylmethyl)-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid Traditional Name: 2-[3-keto-6-nitro-8-(piperidinomethyl)-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid Formula: C16H20N4O5 MolecularWeight: 348.3538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC3=C2NC(C(=O)N3)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC3=C2NC(C(=O)N3)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O5/c21-14(22)8-13-16(23)18-12-7-11(20(24)25)6-10(15(12)17-13)9-19-4-2-1-3-5-19/h6-7,13,17H,1-5,8-9H2,(H,18,23)(H,21,22)