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

Systemtic Name: 2-[6-nitro-3-oxidanylidene-8-(pyrrolidin-1-ylmethyl)-2,4-dihydro-1H-quinoxalin-2-yl]ethanoic acid Openeye Name: 2-[6-nitro-3-oxo-8-(pyrrolidin-1-ylmethyl)-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid CAS Name: 2-[6-nitro-3-oxo-8-(1-pyrrolidinylmethyl)-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid IUPAC Name: 2-[6-nitro-3-oxo-8-(pyrrolidin-1-ylmethyl)-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid Traditional Name: 2-[3-keto-6-nitro-8-(pyrrolidinomethyl)-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid Formula: C15H18N4O5 MolecularWeight: 334.32722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC3=C2NC(C(=O)N3)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC3=C2NC(C(=O)N3)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O5/c20-13(21)7-12-15(22)17-11-6-10(19(23)24)5-9(14(11)16-12)8-18-3-1-2-4-18/h5-6,12,16H,1-4,7-8H2,(H,17,22)(H,20,21)