(2R)-2-[[(3R)-2-ethanoyl-5-(3-nitrophenyl)-3,4-dihydropyrazol-3-yl]azaniumyl]-3-phenyl-propanoate

Systemtic Name: (2R)-2-[[(3R)-2-ethanoyl-5-(3-nitrophenyl)-3,4-dihydropyrazol-3-yl]azaniumyl]-3-phenyl-propanoate Openeye Name: (2R)-2-[[(3R)-2-acetyl-5-(3-nitrophenyl)-3,4-dihydropyrazol-3-yl]ammonio]-3-phenyl-propanoate CAS Name: (2R)-2-[[(3R)-2-acetyl-5-(3-nitrophenyl)-3,4-dihydropyrazol-3-yl]ammonio]-3-phenylpropanoate IUPAC Name: (2R)-2-[[(3R)-2-acetyl-5-(3-nitrophenyl)-3,4-dihydropyrazol-3-yl]azaniumyl]-3-phenylpropanoate Traditional Name: (2R)-2-[[(3R)-2-acetyl-5-(3-nitrophenyl)-2-pyrazolin-3-yl]ammonio]-3-phenyl-propionate Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])[NH2+]C(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC(=O)N1[C@H](CC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])[NH2+][C@H](CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C20H20N4O5/c1-13(25)23-19(21-18(20(26)27)10-14-6-3-2-4-7-14)12-17(22-23)15-8-5-9-16(11-15)24(28)29/h2-9,11,18-19,21H,10,12H2,1H3,(H,26,27)/t18-,19-/m1/s1