N-(3-methoxy-5-nitro-phenyl)-3-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: N-(3-methoxy-5-nitro-phenyl)-3-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-(3-methoxy-5-nitro-phenyl)-3-(4-nitropyrazol-1-yl)propanamide CAS Name: N-(3-methoxy-5-nitrophenyl)-3-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(3-methoxy-5-nitrophenyl)-3-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-(3-methoxy-5-nitro-phenyl)-3-(4-nitropyrazol-1-yl)propionamide Formula: C13H13N5O6 MolecularWeight: 335.27222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O6/c1-24-12-5-9(4-10(6-12)17(20)21)15-13(19)2-3-16-8-11(7-14-16)18(22)23/h4-8H,2-3H2,1H3,(H,15,19)