1-(4-nitrophenyl)-7a-pyrrolidin-1-yl-4,5,6,7-tetrahydro-3aH-indazole-3-carboxylic acid

Systemtic Name: 1-(4-nitrophenyl)-7a-pyrrolidin-1-yl-4,5,6,7-tetrahydro-3aH-indazole-3-carboxylic acid Openeye Name: 1-(4-nitrophenyl)-7a-pyrrolidin-1-yl-4,5,6,7-tetrahydro-3aH-indazole-3-carboxylic acid CAS Name: 1-(4-nitrophenyl)-7a-(1-pyrrolidinyl)-4,5,6,7-tetrahydro-3aH-indazole-3-carboxylic acid IUPAC Name: 1-(4-nitrophenyl)-7a-pyrrolidin-1-yl-4,5,6,7-tetrahydro-3aH-indazole-3-carboxylic acid Traditional Name: 1-(4-nitrophenyl)-7a-pyrrolidino-4,5,6,7-tetrahydro-3aH-indazole-3-carboxylic acid Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(C1)C(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O)N4CCCC4

Isomeric SMILES

C1CCC2(C(C1)C(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O)N4CCCC4

InChI

InChI=1S/C18H22N4O4/c23-17(24)16-15-5-1-2-10-18(15,20-11-3-4-12-20)21(19-16)13-6-8-14(9-7-13)22(25)26/h6-9,15H,1-5,10-12H2,(H,23,24)