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

Systemtic Name: 3-nitro-N-[1-oxidanylidene-1-[(1-phenylpyrazol-4-yl)methylamino]propan-2-yl]benzamide Openeye Name: N-[1-methyl-2-oxo-2-[(1-phenylpyrazol-4-yl)methylamino]ethyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[1-oxo-1-[(1-phenyl-4-pyrazolyl)methylamino]propan-2-yl]benzamide IUPAC Name: 3-nitro-N-[1-oxo-1-[(1-phenylpyrazol-4-yl)methylamino]propan-2-yl]benzamide Traditional Name: N-[2-keto-1-methyl-2-[(1-phenylpyrazol-4-yl)methylamino]ethyl]-3-nitro-benzamide Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CN(N=C1)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CN(N=C1)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4/c1-14(23-20(27)16-6-5-9-18(10-16)25(28)29)19(26)21-11-15-12-22-24(13-15)17-7-3-2-4-8-17/h2-10,12-14H,11H2,1H3,(H,21,26)(H,23,27)