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

Systemtic Name: 3-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]propanamide Openeye Name: 3-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]propanamide CAS Name: 3-(3-methoxy-4-nitro-1-pyrazolyl)-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]propanamide IUPAC Name: 3-(3-methoxy-4-nitropyrazol-1-yl)-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]propanamide Traditional Name: 3-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]propionamide Formula: C20H19N5O8 MolecularWeight: 457.39356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=C(C(=N3)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=C(C(=N3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O8/c1-31-15-3-5-16(6-4-15)33-17-10-13(9-14(11-17)24(27)28)21-19(26)7-8-23-12-18(25(29)30)20(22-23)32-2/h3-6,9-12H,7-8H2,1-2H3,(H,21,26)