4-(5-nitro-1-benzothiophen-2-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine; phthalic acid

Systemtic Name: 4-(5-nitro-1-benzothiophen-2-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine; phthalic acid Openeye Name: 1-isopropyl-4-(5-nitrobenzothiophen-2-yl)-3,6-dihydro-2H-pyridine; phthalic acid CAS Name: 4-(5-nitro-1-benzothiophen-2-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine; phthalic acid IUPAC Name: 4-(5-nitro-1-benzothiophen-2-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine; phthalic acid Traditional Name: 1-isopropyl-4-(5-nitrobenzothiophen-2-yl)-3,6-dihydro-2H-pyridine; phthalic acid Formula: C24H24N2O6S MolecularWeight: 468.52216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(=CC1)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-].C1=CC=C(C(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)N1CCC(=CC1)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-].C1=CC=C(C(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C16H18N2O2S.C8H6O4/c1-11(2)17-7-5-12(6-8-17)16-10-13-9-14(18(19)20)3-4-15(13)21-16;9-7(10)5-3-1-2-4-6(5)8(11)12/h3-5,9-11H,6-8H2,1-2H3;1-4H,(H,9,10)(H,11,12)