3-nitro-N-[4-[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethoxy]phenyl]benzamide

Systemtic Name: 3-nitro-N-[4-[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethoxy]phenyl]benzamide Openeye Name: N-[4-[2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethoxy]phenyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[4-[2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethoxy]phenyl]benzamide IUPAC Name: 3-nitro-N-[4-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethoxy]phenyl]benzamide Traditional Name: N-[4-[2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethoxy]phenyl]-3-nitro-benzamide Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)COC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)COC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5/c1-14(2)25-19(10-11-22-25)24-20(27)13-31-18-8-6-16(7-9-18)23-21(28)15-4-3-5-17(12-15)26(29)30/h3-12,14H,13H2,1-2H3,(H,23,28)(H,24,27)