ethyl 5-[3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoylamino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[3-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[3-(1,3-diketo-4-nitro-isoindolin-2-yl)propanoylamino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C26H20N6O7 MolecularWeight: 528.473

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)CCN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)CCN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H20N6O7/c1-2-39-26(36)17-14-27-31(20-11-10-15-6-3-4-8-18(15)28-20)23(17)29-21(33)12-13-30-24(34)16-7-5-9-19(32(37)38)22(16)25(30)35/h3-11,14H,2,12-13H2,1H3,(H,29,33)