[2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-keto-2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]ethyl] ester Formula: C22H20N4O8 MolecularWeight: 468.4162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3)C4=CC=CC=C4

Isomeric SMILES

COC1=CN(N=C1C(=O)OCC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O8/c1-31-19-12-25(14-6-3-2-4-7-14)24-21(19)22(28)34-13-20(27)23-15-10-17-18(11-16(15)26(29)30)33-9-5-8-32-17/h2-4,6-7,10-12H,5,8-9,13H2,1H3,(H,23,27)