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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)NCCC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)NCCC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

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