N-[(E)-[1-(2-azanyl-2-oxidanylidene-ethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[(E)-[1-(2-azanyl-2-oxidanylidene-ethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-4-methyl-3-nitro-benzamide Openeye Name: N-[(E)-[1-(2-amino-2-oxo-ethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-4-methyl-3-nitro-benzamide CAS Name: N-[(E)-[1-(2-amino-2-oxoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]-4-methyl-3-nitrobenzamide IUPAC Name: N-[(E)-[1-(2-amino-2-oxoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-4-methyl-3-nitrobenzamide Traditional Name: N-[(E)-[1-(2-amino-2-keto-ethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-4-methyl-3-nitro-benzamide Formula: C20H18N6O4 MolecularWeight: 406.39472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NN=CC2=CN(N=C2C3=CC=CC=C3)CC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N/N=C/C2=CN(N=C2C3=CC=CC=C3)CC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O4/c1-13-7-8-15(9-17(13)26(29)30)20(28)23-22-10-16-11-25(12-18(21)27)24-19(16)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H2,21,27)(H,23,28)/b22-10+