(E)-but-2-enedioic acid; 3-[5-(4-methylpiperazin-1-yl)carbonylpyridin-2-yl]-5-nitro-1,3-dihydroindol-2-one

Systemtic Name: (E)-but-2-enedioic acid; 3-[5-(4-methylpiperazin-1-yl)carbonylpyridin-2-yl]-5-nitro-1,3-dihydroindol-2-one Openeye Name: fumaric acid; 3-[5-(4-methylpiperazine-1-carbonyl)-2-pyridyl]-5-nitro-indolin-2-one CAS Name: (E)-2-butenedioic acid; 3-[5-[(4-methyl-1-piperazinyl)-oxomethyl]-2-pyridinyl]-5-nitro-1,3-dihydroindol-2-one IUPAC Name: (E)-but-2-enedioic acid; 3-[5-(4-methylpiperazine-1-carbonyl)pyridin-2-yl]-5-nitro-1,3-dihydroindol-2-one Traditional Name: fumaric acid; 3-[5-(4-methylpiperazine-1-carbonyl)-2-pyridyl]-5-nitro-oxindole Formula: C23H23N5O8 MolecularWeight: 497.45742

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CN=C(C=C2)C3C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CN=C(C=C2)C3C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H19N5O4.C4H4O4/c1-22-6-8-23(9-7-22)19(26)12-2-4-16(20-11-12)17-14-10-13(24(27)28)3-5-15(14)21-18(17)25;5-3(6)1-2-4(7)8/h2-5,10-11,17H,6-9H2,1H3,(H,21,25);1-2H,(H,5,6)(H,7,8)/b;2-1+