(E)-but-2-enedioic acid; 3-(1-methylpiperidin-4-yl)-1-(2-nitrophenyl)indazole

Systemtic Name: (E)-but-2-enedioic acid; 3-(1-methylpiperidin-4-yl)-1-(2-nitrophenyl)indazole Openeye Name: fumaric acid; 3-(1-methyl-4-piperidyl)-1-(2-nitrophenyl)indazole CAS Name: (E)-2-butenedioic acid; 3-(1-methyl-4-piperidinyl)-1-(2-nitrophenyl)indazole IUPAC Name: (E)-but-2-enedioic acid; 3-(1-methylpiperidin-4-yl)-1-(2-nitrophenyl)indazole Traditional Name: fumaric acid; 3-(1-methyl-4-piperidyl)-1-(2-nitrophenyl)indazole Formula: C23H24N4O6 MolecularWeight: 452.45986

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=NN(C3=CC=CC=C32)C4=CC=CC=C4[N+](=O)[O-].C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(CC1)C2=NN(C3=CC=CC=C32)C4=CC=CC=C4[N+](=O)[O-].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H20N4O2.C4H4O4/c1-21-12-10-14(11-13-21)19-15-6-2-3-7-16(15)22(20-19)17-8-4-5-9-18(17)23(24)25;5-3(6)1-2-4(7)8/h2-9,14H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+