N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide

Systemtic Name: N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide Openeye Name: N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide CAS Name: N-[1-[(2,4-dimethylphenoxy)methyl]-4-pyrazolyl]-3-(3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide Traditional Name: N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-3-(3-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)CCN3C=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)OCN2C=C(C=N2)NC(=O)CCN3C=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C18H20N6O4/c1-13-3-4-16(14(2)9-13)28-12-23-11-15(10-19-23)20-18(25)6-8-22-7-5-17(21-22)24(26)27/h3-5,7,9-11H,6,8,12H2,1-2H3,(H,20,25)