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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CCNC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CCNC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4/c26-19(13-22-20(27)16-5-4-8-18(11-16)25(28)29)21-10-9-15-12-23-24(14-15)17-6-2-1-3-7-17/h1-8,11-12,14H,9-10,13H2,(H,21,26)(H,22,27)