N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-2-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]-2-(3-methoxy-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]-2-(3-methoxy-4-nitropyrazol-1-yl)propanamide Traditional Name: N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-2-(3-methoxy-4-nitro-pyrazol-1-yl)propionamide Formula: C21H21N5O7 MolecularWeight: 455.42074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C(C)N3C=C(C(=N3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C(C)N3C=C(C(=N3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O7/c1-12-5-6-13(2)19(7-12)33-17-9-15(8-16(10-17)25(28)29)22-20(27)14(3)24-11-18(26(30)31)21(23-24)32-4/h5-11,14H,1-4H3,(H,22,27)