2-(2-methoxyethylamino)-N-methyl-5-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

Systemtic Name: 2-(2-methoxyethylamino)-N-methyl-5-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Openeye Name: 2-(2-methoxyethylamino)-N-methyl-5-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide CAS Name: 2-(2-methoxyethylamino)-N-methyl-5-nitro-N-[(1-phenyl-4-pyrazolyl)methyl]benzamide IUPAC Name: 2-(2-methoxyethylamino)-N-methyl-5-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Traditional Name: 2-(2-methoxyethylamino)-N-methyl-5-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Formula: C21H23N5O4 MolecularWeight: 409.43842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4/c1-24(14-16-13-23-25(15-16)17-6-4-3-5-7-17)21(27)19-12-18(26(28)29)8-9-20(19)22-10-11-30-2/h3-9,12-13,15,22H,10-11,14H2,1-2H3