2-[[[5-(furan-2-yl)-2-phenyl-pyrazol-3-yl]carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[5-(furan-2-yl)-2-phenyl-pyrazol-3-yl]carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[5-(2-furyl)-2-phenyl-pyrazole-3-carbonyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[[5-(2-furanyl)-2-phenyl-3-pyrazolyl]-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[5-(furan-2-yl)-2-phenylpyrazole-3-carbonyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[5-(2-furyl)-2-phenyl-pyrazole-3-carbonyl]amino]methyl]-4-nitro-phenolate Formula: C21H15N4O5- MolecularWeight: 403.3676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CO3)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CO3)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C21H16N4O5/c26-19-9-8-16(25(28)29)11-14(19)13-22-21(27)18-12-17(20-7-4-10-30-20)23-24(18)15-5-2-1-3-6-15/h1-12,26H,13H2,(H,22,27)/p-1