N-[3-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide

Systemtic Name: N-[3-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-[3-(2-amino-2-oxo-ethoxy)phenyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-[3-(2-amino-2-oxoethoxy)phenyl]-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[3-(2-amino-2-oxoethoxy)phenyl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[3-(2-amino-2-keto-ethoxy)phenyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)OCC(=O)N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)OCC(=O)N)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5/c1-13-20(26(29)30)14(2)25(24-13)11-15-6-8-16(9-7-15)21(28)23-17-4-3-5-18(10-17)31-12-19(22)27/h3-10H,11-12H2,1-2H3,(H2,22,27)(H,23,28)