N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]-2-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]-2-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]-2-(4-nitropyrazol-1-yl)butanamide CAS Name: N-[3-(4-methoxyphenoxy)-5-nitrophenyl]-2-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-[3-(4-methoxyphenoxy)-5-nitrophenyl]-2-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]-2-(4-nitropyrazol-1-yl)butyramide Formula: C20H19N5O7 MolecularWeight: 441.39416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC(=C1)OC2=CC=C(C=C2)OC)[N+](=O)[O-])N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC(=C1)OC2=CC=C(C=C2)OC)[N+](=O)[O-])N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O7/c1-3-19(23-12-15(11-21-23)25(29)30)20(26)22-13-8-14(24(27)28)10-18(9-13)32-17-6-4-16(31-2)5-7-17/h4-12,19H,3H2,1-2H3,(H,22,26)