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

Systemtic Name: 4-methyl-N-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[2-[methyl-[(1-phenyl-4-pyrazolyl)methyl]amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-keto-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]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)N(C)CC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)N(C)CC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c1-15-8-9-17(10-19(15)26(29)30)21(28)22-12-20(27)24(2)13-16-11-23-25(14-16)18-6-4-3-5-7-18/h3-11,14H,12-13H2,1-2H3,(H,22,28)