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

Systemtic Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-3-(3-methoxy-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide Traditional Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-3-(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(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=C(C(=N3)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=C(C(=N3)OC)[N+](=O)[O-])C

InChI

InChI=1S/C21H21N5O7/c1-13-6-14(2)8-17(7-13)33-18-10-15(9-16(11-18)25(28)29)22-20(27)4-5-24-12-19(26(30)31)21(23-24)32-3/h6-12H,4-5H2,1-3H3,(H,22,27)