4-methyl-3-nitro-N-[2-oxidanylidene-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide

Systemtic Name: 4-methyl-3-nitro-N-[2-oxidanylidene-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide Openeye Name: 4-methyl-3-nitro-N-[2-oxo-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide CAS Name: 4-methyl-3-nitro-N-[2-oxo-2-[[2-(1-pyrazolylmethyl)phenyl]methylamino]ethyl]benzamide IUPAC Name: 4-methyl-3-nitro-N-[2-oxo-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide Traditional Name: N-[2-keto-2-[[2-(pyrazol-1-ylmethyl)benzyl]amino]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)NCC2=CC=CC=C2CN3C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)NCC2=CC=CC=C2CN3C=CC=N3)[N+](=O)[O-]

InChI

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