2-[4-(4-hydroxybut-2-yn-1-yl)piperazin-1-yl]-3-nitrobenzoic acid

CAS: 374063-97-5

Formula: C15H17N3O5

SMILES: OCC#CCN1CCN(CC1)C1=C(C=CC=C1[N+]([O-])=O)C(O)=O

IUPAC: 2-[4-(4-hydroxybut-2-yn-1-yl)piperazin-1-yl]-3-nitrobenzoic acid

InChI: InChI=1S/C15H17N3O5/c19-11-2-1-6-16-7-9-17(10-8-16)14-12(15(20)21)4-3-5-13(14)18(22)23/h3-5,19H,6-11H2,(H,20,21)

Composition: C (56.42%), H (5.37%), N (13.16%), O (25.05%)

Molar Mass: 319.317

Atom Count: 40

Heavy Atom Count: 23