3-nitro-N-[1-oxidanylidene-1-[2-(1-phenylpyrazol-4-yl)ethylamino]propan-2-yl]benzamide

Systemtic Name: 3-nitro-N-[1-oxidanylidene-1-[2-(1-phenylpyrazol-4-yl)ethylamino]propan-2-yl]benzamide Openeye Name: N-[1-methyl-2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[1-oxo-1-[2-(1-phenyl-4-pyrazolyl)ethylamino]propan-2-yl]benzamide IUPAC Name: 3-nitro-N-[1-oxo-1-[2-(1-phenylpyrazol-4-yl)ethylamino]propan-2-yl]benzamide Traditional Name: N-[2-keto-1-methyl-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]-3-nitro-benzamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CN(N=C1)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCCC1=CN(N=C1)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c1-15(24-21(28)17-6-5-9-19(12-17)26(29)30)20(27)22-11-10-16-13-23-25(14-16)18-7-3-2-4-8-18/h2-9,12-15H,10-11H2,1H3,(H,22,27)(H,24,28)