N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)propanamide CAS Name: N-[1-[(2,4-dimethylphenoxy)methyl]-4-pyrazolyl]-2-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)propionamide Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCN2C=C(C=N2)NC(=O)C(C)N3C=C(C=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)OCN2C=C(C=N2)NC(=O)C(C)N3C=C(C=N3)[N+](=O)[O-])C

InChI

InChI=1S/C18H20N6O4/c1-12-4-5-17(13(2)6-12)28-11-22-9-15(7-19-22)21-18(25)14(3)23-10-16(8-20-23)24(26)27/h4-10,14H,11H2,1-3H3,(H,21,25)