2,3-dinitrobenzoic acid; 3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole-5-carbonitrile

Systemtic Name: 2,3-dinitrobenzoic acid; 3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole-5-carbonitrile Openeye Name: 2,3-dinitrobenzoic acid; 3-(1-isopropyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole-5-carbonitrile CAS Name: 2,3-dinitrobenzoic acid; 3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole-5-carbonitrile IUPAC Name: 2,3-dinitrobenzoic acid; 3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole-5-carbonitrile Traditional Name: 2,3-dinitrobenzoic acid; 3-(1-isopropyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole-5-carbonitrile Formula: C23H22N6O6 MolecularWeight: 478.45738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(=CC1)C2=NNC3=C2C=C(C=C3)C#N.C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)N1CCC(=CC1)C2=NNC3=C2C=C(C=C3)C#N.C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H18N4.C7H4N2O6/c1-11(2)20-7-5-13(6-8-20)16-14-9-12(10-17)3-4-15(14)18-19-16;10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h3-5,9,11H,6-8H2,1-2H3,(H,18,19);1-3H,(H,10,11)