ethyl 5-[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanoylamino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[6-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxohexyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoylamino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanoylamino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C29H26N6O7 MolecularWeight: 570.55274

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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)CCCCCN4C(=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)CCCCCN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H26N6O7/c1-2-42-29(39)20-17-30-34(23-15-14-18-9-5-6-11-21(18)31-23)26(20)32-24(36)13-4-3-7-16-33-27(37)19-10-8-12-22(35(40)41)25(19)28(33)38/h5-6,8-12,14-15,17H,2-4,7,13,16H2,1H3,(H,32,36)