2-[4-[3-(4-methyl-2-nitro-phenoxy)propanoyl]piperazin-1-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[4-[3-(4-methyl-2-nitro-phenoxy)propanoyl]piperazin-1-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-[3-(4-methyl-2-nitro-phenoxy)propanoyl]piperazin-1-yl]-2-oxo-acetic acid CAS Name: 2-[4-[3-(4-methyl-2-nitrophenoxy)-1-oxopropyl]-1-piperazinyl]-2-oxoacetic acid IUPAC Name: 2-[4-[3-(4-methyl-2-nitrophenoxy)propanoyl]piperazin-1-yl]-2-oxoacetic acid Traditional Name: 2-keto-2-[4-[3-(4-methyl-2-nitro-phenoxy)propanoyl]piperazino]acetic acid Formula: C16H19N3O7 MolecularWeight: 365.33796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCC(=O)N2CCN(CC2)C(=O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCCC(=O)N2CCN(CC2)C(=O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O7/c1-11-2-3-13(12(10-11)19(24)25)26-9-4-14(20)17-5-7-18(8-6-17)15(21)16(22)23/h2-3,10H,4-9H2,1H3,(H,22,23)