[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-keto-2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethyl] ester Formula: C21H18N4O5 MolecularWeight: 406.39142

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)[N+](=O)[O-])N(C1)C(=O)COC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CC2=C(C=CC(=C2)[N+](=O)[O-])N(C1)C(=O)COC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H18N4O5/c26-20(23-11-1-3-16-13-18(25(28)29)8-9-19(16)23)14-30-21(27)15-4-6-17(7-5-15)24-12-2-10-22-24/h2,4-10,12-13H,1,3,11,14H2