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

Systemtic Name: ethyl 5-[4-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[4-(5-nitro-1,3-dioxo-isoindolin-2-yl)butanoylamino]-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[4-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(5-nitro-1,3-dioxoisoindol-2-yl)butanoylamino]-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-[4-(1,3-diketo-5-nitro-isoindolin-2-yl)butanoylamino]-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C27H22N6O7 MolecularWeight: 542.49958

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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)CCCN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=O)CCCN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H22N6O7/c1-2-40-27(37)20-15-28-32(22-12-9-16-6-3-4-7-21(16)29-22)24(20)30-23(34)8-5-13-31-25(35)18-11-10-17(33(38)39)14-19(18)26(31)36/h3-4,6-7,9-12,14-15H,2,5,8,13H2,1H3,(H,30,34)