3-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]propanamide

Systemtic Name: 3-(3-methoxy-4-nitro-pyrazol-1-yl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]propanamide Openeye Name: N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(3-methoxy-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-3-(3-methoxy-4-nitropyrazol-1-yl)propanamide Traditional Name: N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propionamide Formula: C16H19N5O8 MolecularWeight: 409.35076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC(CO)C(C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H19N5O8/c1-29-16-13(21(27)28)8-19(18-16)7-6-14(23)17-12(9-22)15(24)10-2-4-11(5-3-10)20(25)26/h2-5,8,12,15,22,24H,6-7,9H2,1H3,(H,17,23)